4-benzyl-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;cyclohexyl N-(5-methyl-2-pyridinyl)carbamate;4-[(4-fluorophenyl)methyl]-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;hexyl N-(5-methyl-2-pyridinyl)carbamate;1-hexyl-3-(5-methyl-2-pyridinyl)urea;N-(5-methyl-2-pyridinyl)-4-pyridin-3-ylpiperazine-1-carboxamide;N-(5-methyl-2-pyridinyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide

C108H139F4N25O9 — CID 158285969

IUPAC4-benzyl-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;cyclohexyl N-(5-methyl-2-pyridinyl)carbamate;4-[(4-fluorophenyl)methyl]-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;hexyl N-(5-methyl-2-pyridinyl)carbamate;1-hexyl-3-(5-methyl-2-pyridinyl)urea;N-(5-methyl-2-pyridinyl)-4-pyridin-3-ylpiperazine-1-carboxamide;N-(5-methyl-2-pyridinyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
SMILESCCCCCCNC(=O)Nc1ccc(C)cn1.CCCCCCOC(=O)Nc1ccc(C)cn1.Cc1ccc(NC(=O)N2CCN(Cc3ccc(F)cc3)CC2)nc1.Cc1ccc(NC(=O)N2CCN(Cc3ccccc3)CC2)nc1.Cc1ccc(NC(=O)N2CCN(c3cccc(C(F)(F)F)n3)CC2)nc1.Cc1ccc(NC(=O)N2CCN(c3cccnc3)CC2)nc1.Cc1ccc(NC(=O)OC2CCCCC2)nc1
InChIInChI=1S/C18H21FN4O.C18H22N4O.C17H18F3N5O.C16H19N5O.C13H21N3O.C13H18N2O2.C13H20N2O2/c1-14-2-7-17(20-12-14)21-18(24)23-10-8-22(9-11-23)13-15-3-5-16(19)6-4-15;1-15-7-8-17(19-13-15)20-18(23)22-11-9-21(10-12-22)14-16-5-3-2-4-6-16;1-12-5-6-14(21-11-12)23-16(26)25-9-7-24(8-10-25)15-4-2-3-13(22-15)17(18,19)20;1-13-4-5-15(18-11-13)19-16(22)21-9-7-20(8-10-21)14-3-2-6-17-12-14;1-3-4-5-6-9-14-13(17)16-12-8-7-11(2)10-15-12;1-10-7-8-12(14-9-10)15-13(16)17-11-5-3-2-4-6-11;1-3-4-5-6-9-17-13(16)15-12-8-7-11(2)10-14-12/h2-7,12H,8-11,13H2,1H3,(H,20,21,24);2-8,13H,9-12,14H2,1H3,(H,19,20,23);2-6,11H,7-10H2,1H3,(H,21,23,26);2-6,11-12H,7-10H2,1H3,(H,18,19,22);7-8,10H,3-6,9H2,1-2H3,(H2,14,15,16,17);7-9,11H,2-6H2,1H3,(H,14,15,16);7-8,10H,3-6,9H2,1-2H3,(H,14,15,16)
InChIKeyGKUCXBMZIFLANX-UHFFFAOYSA-N
MW2007.46 g/mol
LogP20.80
Rot. Bonds24

About 4-benzyl-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;cyclohexyl N-(5-methyl-2-pyridinyl)carbamate;4-[(4-fluorophenyl)methyl]-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;hexyl N-(5-methyl-2-pyridinyl)carbamate;1-hexyl-3-(5-methyl-2-pyridinyl)urea;N-(5-methyl-2-pyridinyl)-4-pyridin-3-ylpiperazine-1-carboxamide;N-(5-methyl-2-pyridinyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide

4-benzyl-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;cyclohexyl N-(5-methyl-2-pyridinyl)carbamate;4-[(4-fluorophenyl)methyl]-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;hexyl N-(5-methyl-2-pyridinyl)carbamate;1-hexyl-3-(5-methyl-2-pyridinyl)urea;N-(5-methyl-2-pyridinyl)-4-pyridin-3-ylpiperazine-1-carboxamide;N-(5-methyl-2-pyridinyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide (PubChem CID 158285969) has the molecular formula C108H139F4N25O9 and a molecular weight of 2007.46 g/mol. Its IUPAC name is 4-benzyl-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;cyclohexyl N-(5-methyl-2-pyridinyl)carbamate;4-[(4-fluorophenyl)methyl]-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;hexyl N-(5-methyl-2-pyridinyl)carbamate;1-hexyl-3-(5-methyl-2-pyridinyl)urea;N-(5-methyl-2-pyridinyl)-4-pyridin-3-ylpiperazine-1-carboxamide;N-(5-methyl-2-pyridinyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;cyclohexyl N-(5-methyl-2-pyridinyl)carbamate;4-[(4-fluorophenyl)methyl]-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;hexyl N-(5-methyl-2-pyridinyl)carbamate;1-hexyl-3-(5-methyl-2-pyridinyl)urea;N-(5-methyl-2-pyridinyl)-4-pyridin-3-ylpiperazine-1-carboxamide;N-(5-methyl-2-pyridinyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
PubChem CID158285969
Molecular FormulaC108H139F4N25O9
Molecular Weight2007.46 g/mol
Exact Mass2006.11
IUPAC Name4-benzyl-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;cyclohexyl N-(5-methyl-2-pyridinyl)carbamate;4-[(4-fluorophenyl)methyl]-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;hexyl N-(5-methyl-2-pyridinyl)carbamate;1-hexyl-3-(5-methyl-2-pyridinyl)urea;N-(5-methyl-2-pyridinyl)-4-pyridin-3-ylpiperazine-1-carboxamide;N-(5-methyl-2-pyridinyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
SMILESCCCCCCNC(=O)Nc1ccc(C)cn1.CCCCCCOC(=O)Nc1ccc(C)cn1.Cc1ccc(NC(=O)N2CCN(Cc3ccc(F)cc3)CC2)nc1.Cc1ccc(NC(=O)N2CCN(Cc3ccccc3)CC2)nc1.Cc1ccc(NC(=O)N2CCN(c3cccc(C(F)(F)F)n3)CC2)nc1.Cc1ccc(NC(=O)N2CCN(c3cccnc3)CC2)nc1.Cc1ccc(NC(=O)OC2CCCCC2)nc1
InChIInChI=1S/C18H21FN4O.C18H22N4O.C17H18F3N5O.C16H19N5O.C13H21N3O.C13H18N2O2.C13H20N2O2/c1-14-2-7-17(20-12-14)21-18(24)23-10-8-22(9-11-23)13-15-3-5-16(19)6-4-15;1-15-7-8-17(19-13-15)20-18(23)22-11-9-21(10-12-22)14-16-5-3-2-4-6-16;1-12-5-6-14(21-11-12)23-16(26)25-9-7-24(8-10-25)15-4-2-3-13(22-15)17(18,19)20;1-13-4-5-15(18-11-13)19-16(22)21-9-7-20(8-10-21)14-3-2-6-17-12-14;1-3-4-5-6-9-14-13(17)16-12-8-7-11(2)10-15-12;1-10-7-8-12(14-9-10)15-13(16)17-11-5-3-2-4-6-11;1-3-4-5-6-9-17-13(16)15-12-8-7-11(2)10-14-12/h2-7,12H,8-11,13H2,1H3,(H,20,21,24);2-8,13H,9-12,14H2,1H3,(H,19,20,23);2-6,11H,7-10H2,1H3,(H,21,23,26);2-6,11-12H,7-10H2,1H3,(H,18,19,22);7-8,10H,3-6,9H2,1-2H3,(H2,14,15,16,17);7-9,11H,2-6H2,1H3,(H,14,15,16);7-8,10H,3-6,9H2,1-2H3,(H,14,15,16)
InChIKeyGKUCXBMZIFLANX-UHFFFAOYSA-N
XLogP20.80
TPSA376.12 Ų
H-Bond Donors8
H-Bond Acceptors22
Rotatable Bonds24
Heavy Atoms146
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002007.46
LogP ≤ 520.80
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-benzyl-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;cyclohexyl N-(5-methyl-2-pyridinyl)carbamate;4-[(4-fluorophenyl)methyl]-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;hexyl N-(5-methyl-2-pyridinyl)carbamate;1-hexyl-3-(5-methyl-2-pyridinyl)urea;N-(5-methyl-2-pyridinyl)-4-pyridin-3-ylpiperazine-1-carboxamide;N-(5-methyl-2-pyridinyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Fluorobutyl 4-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperazine-1-carboxylate
CID 68721871
tert-butyl N-[[3-[[[5-fluoro-2-[2-(3-fluorophenyl)ethylamino]-6-[(E)-prop-1-enyl]-3-pyridinyl]-formylamino]methyl]-2-pyridinyl]methyl]carbamate
CID 87306300
benzyl 4-[3-[(2,2,2-trifluoroacetyl)amino]pyridin-2-yl]piperazine-1-carboxylate;2,2,2-trifluoro-N-(2-piperazin-1-ylpyridin-3-yl)acetamide
CID 88453038
tert-butyl N-[(3S)-1-[3-(difluoromethyl)-6-[[5-methanimidoyl-2-(6-methylpyrazin-2-yl)-4-pyridinyl]amino]-2-pyridinyl]piperidin-3-yl]carbamate
CID 135293558
tert-butyl N-[1-[6-fluoro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]piperidin-4-yl]carbamate
CID 156747898
tert-butyl (2R,5S)-4-[6-fluoro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;but-2-ynoic acid;4-[(2S,5R)-4-but-2-ynoyl-2,5-dimethylpiperazin-1-yl]-6-fluoro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-6-fluoro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;methane;2,2,2-trifluoroacetaldehyde
CID 157236986
tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;tert-butyl 4-[[[5-fluoro-6-[(3S)-3-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-yl]pyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;N-(cyclohexylmethyl)-5-fluoro-6-[(3S)-3-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-yl]pyrimidin-4-amine;(3S)-4-(5,6-difluoropyrimidin-4-yl)-3-[5-(trifluoromethyl)-2-pyridinyl]morpholine;hydride;molecular hydrogen;(3S)-3-[5-(trifluoromethyl)-2-pyridinyl]morpholine
CID 157479127
tert-butyl 4-[[(6-morpholin-4-yl-3-pyridinyl)-[2-(oxan-4-yl)acetyl]amino]methyl]piperidine-1-carboxylate;N-(6-morpholin-4-yl-3-pyridinyl)-2-(oxan-4-yl)-N-(piperidin-4-ylmethyl)acetamide;N-(6-morpholin-4-yl-3-pyridinyl)-2-(oxan-4-yl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]acetamide;hydrochloride
CID 157562069
tert-butyl (3S,4S)-3-[[6-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-methyl-2-pyridinyl]methyl]-4-[2-[(2,2-difluoro-2-pyridin-2-ylethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]pyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-[2-[(2,2-difluoro-2-piperidin-2-ylethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]-4-[[4-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]methyl]pyrrolidine-1-carboxylate;6-[[(3S,4S)-4-[2-[(2,2-difluoro-2-piperidin-2-ylethyl)amino]ethoxy]pyrrolidin-3-yl]methyl]-4-methylpyridin-2-amine;trihydrochloride
CID 157726035
N-(5-methyl-3-pyridinyl)-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 157737653
Tert-butyl 4-[5-(1,1-difluoroethyl)-2-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-(5-iodo-2-pyridinyl)piperazine-1-carboxylate;1-[5-(1,1-difluoroethyl)-2-pyridinyl]piperazine
CID 157949538
N-acetyl-N-[5-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazin-2-yl]acetamide;5-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazin-2-amine;N-[5-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazin-2-yl]acetamide
CID 157997027

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;cyclohexyl N-(5-methyl-2-pyridinyl)carbamate;4-[(4-fluorophenyl)methyl]-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;hexyl N-(5-methyl-2-pyridinyl)carbamate;1-hexyl-3-(5-methyl-2-pyridinyl)urea;N-(5-methyl-2-pyridinyl)-4-pyridin-3-ylpiperazine-1-carboxamide;N-(5-methyl-2-pyridinyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
The IUPAC name of 4-benzyl-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;cyclohexyl N-(5-methyl-2-pyridinyl)carbamate;4-[(4-fluorophenyl)methyl]-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;hexyl N-(5-methyl-2-pyridinyl)carbamate;1-hexyl-3-(5-methyl-2-pyridinyl)urea;N-(5-methyl-2-pyridinyl)-4-pyridin-3-ylpiperazine-1-carboxamide;N-(5-methyl-2-pyridinyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide (CID 158285969) is 4-benzyl-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;cyclohexyl N-(5-methyl-2-pyridinyl)carbamate;4-[(4-fluorophenyl)methyl]-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;hexyl N-(5-methyl-2-pyridinyl)carbamate;1-hexyl-3-(5-methyl-2-pyridinyl)urea;N-(5-methyl-2-pyridinyl)-4-pyridin-3-ylpiperazine-1-carboxamide;N-(5-methyl-2-pyridinyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-benzyl-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;cyclohexyl N-(5-methyl-2-pyridinyl)carbamate;4-[(4-fluorophenyl)methyl]-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;hexyl N-(5-methyl-2-pyridinyl)carbamate;1-hexyl-3-(5-methyl-2-pyridinyl)urea;N-(5-methyl-2-pyridinyl)-4-pyridin-3-ylpiperazine-1-carboxamide;N-(5-methyl-2-pyridinyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
The canonical SMILES for 4-benzyl-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;cyclohexyl N-(5-methyl-2-pyridinyl)carbamate;4-[(4-fluorophenyl)methyl]-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;hexyl N-(5-methyl-2-pyridinyl)carbamate;1-hexyl-3-(5-methyl-2-pyridinyl)urea;N-(5-methyl-2-pyridinyl)-4-pyridin-3-ylpiperazine-1-carboxamide;N-(5-methyl-2-pyridinyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide is CCCCCCNC(=O)Nc1ccc(C)cn1.CCCCCCOC(=O)Nc1ccc(C)cn1.Cc1ccc(NC(=O)N2CCN(Cc3ccc(F)cc3)CC2)nc1.Cc1ccc(NC(=O)N2CCN(Cc3ccccc3)CC2)nc1.Cc1ccc(NC(=O)N2CCN(c3cccc(C(F)(F)F)n3)CC2)nc1.Cc1ccc(NC(=O)N2CCN(c3cccnc3)CC2)nc1.Cc1ccc(NC(=O)OC2CCCCC2)nc1.
What is the InChIKey of 4-benzyl-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;cyclohexyl N-(5-methyl-2-pyridinyl)carbamate;4-[(4-fluorophenyl)methyl]-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;hexyl N-(5-methyl-2-pyridinyl)carbamate;1-hexyl-3-(5-methyl-2-pyridinyl)urea;N-(5-methyl-2-pyridinyl)-4-pyridin-3-ylpiperazine-1-carboxamide;N-(5-methyl-2-pyridinyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
The InChIKey is GKUCXBMZIFLANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O.C18H22N4O.C17H18F3N5O.C16H19N5O.C13H21N3O.C13H18N2O2.C13H20N2O2/c1-14-2-7-17(20-12-14)21-18(24)23-10-8-22(9-11-23)13-15-3-5-16(19)6-4-15;1-15-7-8-17(19-13-15)20-18(23)22-11-9-21(10-12-22)14-16-5-3-2-4-6-16;1-12-5-6-14(21-11-12)23-16(26)25-9-7-24(8-10-25)15-4-2-3-13(22-15)17(18,19)20;1-13-4-5-15(18-11-13)19-16(22)21-9-7-20(8-10-21)14-3-2-6-17-12-14;1-3-4-5-6-9-14-13(17)16-12-8-7-11(2)10-15-12;1-10-7-8-12(14-9-10)15-13(16)17-11-5-3-2-4-6-11;1-3-4-5-6-9-17-13(16)15-12-8-7-11(2)10-14-12/h2-7,12H,8-11,13H2,1H3,(H,20,21,24);2-8,13H,9-12,14H2,1H3,(H,19,20,23);2-6,11H,7-10H2,1H3,(H,21,23,26);2-6,11-12H,7-10H2,1H3,(H,18,19,22);7-8,10H,3-6,9H2,1-2H3,(H2,14,15,16,17);7-9,11H,2-6H2,1H3,(H,14,15,16);7-8,10H,3-6,9H2,1-2H3,(H,14,15,16).
What are the key properties of 4-benzyl-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;cyclohexyl N-(5-methyl-2-pyridinyl)carbamate;4-[(4-fluorophenyl)methyl]-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;hexyl N-(5-methyl-2-pyridinyl)carbamate;1-hexyl-3-(5-methyl-2-pyridinyl)urea;N-(5-methyl-2-pyridinyl)-4-pyridin-3-ylpiperazine-1-carboxamide;N-(5-methyl-2-pyridinyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
4-benzyl-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;cyclohexyl N-(5-methyl-2-pyridinyl)carbamate;4-[(4-fluorophenyl)methyl]-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;hexyl N-(5-methyl-2-pyridinyl)carbamate;1-hexyl-3-(5-methyl-2-pyridinyl)urea;N-(5-methyl-2-pyridinyl)-4-pyridin-3-ylpiperazine-1-carboxamide;N-(5-methyl-2-pyridinyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide has a molecular weight of 2007.46 g/mol, XLogP of 20.80, 24 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;cyclohexyl N-(5-methyl-2-pyridinyl)carbamate;4-[(4-fluorophenyl)methyl]-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;hexyl N-(5-methyl-2-pyridinyl)carbamate;1-hexyl-3-(5-methyl-2-pyridinyl)urea;N-(5-methyl-2-pyridinyl)-4-pyridin-3-ylpiperazine-1-carboxamide;N-(5-methyl-2-pyridinyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide is sourced from PubChem (CID 158285969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).