3-[cyclopropyl-[(6,8-difluoronaphthalen-2-yl)methylcarbamoyl]amino]-N-methylpiperidine-1-carboxamide;3-[cyclopropyl-[(7-methylnaphthalen-2-yl)methylcarbamoyl]amino]-5-(hydroxymethyl)-N-methylpiperidine-1-carboxamide

C46H58F2N8O5 — CID 176713112

IUPAC3-[cyclopropyl-[(6,8-difluoronaphthalen-2-yl)methylcarbamoyl]amino]-N-methylpiperidine-1-carboxamide;3-[cyclopropyl-[(7-methylnaphthalen-2-yl)methylcarbamoyl]amino]-5-(hydroxymethyl)-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CC(CO)CC(N(C(=O)NCc2ccc3ccc(C)cc3c2)C2CC2)C1.CNC(=O)N1CCCC(N(C(=O)NCc2ccc3cc(F)cc(F)c3c2)C2CC2)C1
InChIInChI=1S/C24H32N4O3.C22H26F2N4O2/c1-16-3-5-19-6-4-17(10-20(19)9-16)12-26-24(31)28(21-7-8-21)22-11-18(15-29)13-27(14-22)23(30)25-2;1-25-21(29)27-8-2-3-18(13-27)28(17-6-7-17)22(30)26-12-14-4-5-15-10-16(23)11-20(24)19(15)9-14/h3-6,9-10,18,21-22,29H,7-8,11-15H2,1-2H3,(H,25,30)(H,26,31);4-5,9-11,17-18H,2-3,6-8,12-13H2,1H3,(H,25,29)(H,26,30)
InChIKeyYWBKQEQYLCPBGY-UHFFFAOYSA-N
MW841.02 g/mol
LogP6.44
Rot. Bonds9

About 3-[cyclopropyl-[(6,8-difluoronaphthalen-2-yl)methylcarbamoyl]amino]-N-methylpiperidine-1-carboxamide;3-[cyclopropyl-[(7-methylnaphthalen-2-yl)methylcarbamoyl]amino]-5-(hydroxymethyl)-N-methylpiperidine-1-carboxamide

3-[cyclopropyl-[(6,8-difluoronaphthalen-2-yl)methylcarbamoyl]amino]-N-methylpiperidine-1-carboxamide;3-[cyclopropyl-[(7-methylnaphthalen-2-yl)methylcarbamoyl]amino]-5-(hydroxymethyl)-N-methylpiperidine-1-carboxamide (PubChem CID 176713112) has the molecular formula C46H58F2N8O5 and a molecular weight of 841.02 g/mol. Its IUPAC name is 3-[cyclopropyl-[(6,8-difluoronaphthalen-2-yl)methylcarbamoyl]amino]-N-methylpiperidine-1-carboxamide;3-[cyclopropyl-[(7-methylnaphthalen-2-yl)methylcarbamoyl]amino]-5-(hydroxymethyl)-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-[cyclopropyl-[(6,8-difluoronaphthalen-2-yl)methylcarbamoyl]amino]-N-methylpiperidine-1-carboxamide;3-[cyclopropyl-[(7-methylnaphthalen-2-yl)methylcarbamoyl]amino]-5-(hydroxymethyl)-N-methylpiperidine-1-carboxamide
PubChem CID176713112
Molecular FormulaC46H58F2N8O5
Molecular Weight841.02 g/mol
Exact Mass840.45
IUPAC Name3-[cyclopropyl-[(6,8-difluoronaphthalen-2-yl)methylcarbamoyl]amino]-N-methylpiperidine-1-carboxamide;3-[cyclopropyl-[(7-methylnaphthalen-2-yl)methylcarbamoyl]amino]-5-(hydroxymethyl)-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CC(CO)CC(N(C(=O)NCc2ccc3ccc(C)cc3c2)C2CC2)C1.CNC(=O)N1CCCC(N(C(=O)NCc2ccc3cc(F)cc(F)c3c2)C2CC2)C1
InChIInChI=1S/C24H32N4O3.C22H26F2N4O2/c1-16-3-5-19-6-4-17(10-20(19)9-16)12-26-24(31)28(21-7-8-21)22-11-18(15-29)13-27(14-22)23(30)25-2;1-25-21(29)27-8-2-3-18(13-27)28(17-6-7-17)22(30)26-12-14-4-5-15-10-16(23)11-20(24)19(15)9-14/h3-6,9-10,18,21-22,29H,7-8,11-15H2,1-2H3,(H,25,30)(H,26,31);4-5,9-11,17-18H,2-3,6-8,12-13H2,1H3,(H,25,29)(H,26,30)
InChIKeyYWBKQEQYLCPBGY-UHFFFAOYSA-N
XLogP6.44
TPSA149.59 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500841.02
LogP ≤ 56.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 3-[cyclopropyl-[(6,8-difluoronaphthalen-2-yl)methylcarbamoyl]amino]-N-methylpiperidine-1-carboxamide;3-[cyclopropyl-[(7-methylnaphthalen-2-yl)methylcarbamoyl]amino]-5-(hydroxymethyl)-N-methylpiperidine-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

3-[cyclopropyl-[(7-methylnaphthalen-2-yl)methylcarbamoyl]amino]-N,5-dimethylpiperidine-1-carboxamide
CID 176713165
6-[[[cyclopropyl-[(3R)-1-(methylcarbamoyl)piperidin-3-yl]carbamoyl]amino]methyl]-N-[2-[(7-fluoronaphthalen-2-yl)methylcarbamoyl-[(3R)-1-(methylcarbamoyl)piperidin-3-yl]amino]cyclopropyl]naphthalene-2-carbonitrilium
CID 176713139
3-[(6-cyanonaphthalen-2-yl)methylcarbamoyl-cyclopropylamino]-N-methylpiperidine-1-carboxamide
CID 176713128
3-[(4-chloro-2-fluoro-5-methylphenyl)methylcarbamoyl-cyclopropylamino]-N-methylpiperidine-1-carboxamide
CID 165119686
methyl 3-[cyclopropyl-[(5,7-difluoro-1H-indol-2-yl)methylcarbamoyl]amino]-5-(hydroxymethyl)piperidine-1-carboxylate
CID 176708198
methyl (3R,5S)-3-[cyclopropyl-[(5,7-difluoro-1H-indol-2-yl)methylcarbamoyl]amino]-5-(hydroxymethyl)piperidine-1-carboxylate
CID 176708327
3-[cyclopropyl-[[2-fluoro-4-(trifluoromethoxy)phenyl]methylcarbamoyl]amino]-5-(2-hydroxyethyl)-N-methylpiperidine-1-carboxamide
CID 171091674
(3R)-3-[(5-chloro-6-fluoro-1H-indol-2-yl)methylcarbamoyl-cyclopropylamino]-N-methylpiperidine-1-carboxamide
CID 176708435
3-[cyclopropyl(2H-indazol-3-ylmethylcarbamoyl)amino]-N-methylpiperidine-1-carboxamide
CID 176708224
(3R,5R)-3-(cyanomethyl)-5-[cyclopropyl-[(4-cyclopropyl-2-fluorophenyl)methylcarbamoyl]amino]-N-methylpiperidine-1-carboxamide
CID 171091642
methyl 3-[(4-chloro-2-fluorophenyl)methylcarbamoyl-cyclopropylamino]-5-(hydroxymethyl)piperidine-1-carboxylate
CID 171091996
(3R,5S)-3-[cyclopropyl-[[2,5-difluoro-4-(trifluoromethoxy)phenyl]methylcarbamoyl]amino]-5-(methoxymethyl)-N-methylpiperidine-1-carboxamide
CID 171091808

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[(6,8-difluoronaphthalen-2-yl)methylcarbamoyl]amino]-N-methylpiperidine-1-carboxamide;3-[cyclopropyl-[(7-methylnaphthalen-2-yl)methylcarbamoyl]amino]-5-(hydroxymethyl)-N-methylpiperidine-1-carboxamide?
The IUPAC name of 3-[cyclopropyl-[(6,8-difluoronaphthalen-2-yl)methylcarbamoyl]amino]-N-methylpiperidine-1-carboxamide;3-[cyclopropyl-[(7-methylnaphthalen-2-yl)methylcarbamoyl]amino]-5-(hydroxymethyl)-N-methylpiperidine-1-carboxamide (CID 176713112) is 3-[cyclopropyl-[(6,8-difluoronaphthalen-2-yl)methylcarbamoyl]amino]-N-methylpiperidine-1-carboxamide;3-[cyclopropyl-[(7-methylnaphthalen-2-yl)methylcarbamoyl]amino]-5-(hydroxymethyl)-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for 3-[cyclopropyl-[(6,8-difluoronaphthalen-2-yl)methylcarbamoyl]amino]-N-methylpiperidine-1-carboxamide;3-[cyclopropyl-[(7-methylnaphthalen-2-yl)methylcarbamoyl]amino]-5-(hydroxymethyl)-N-methylpiperidine-1-carboxamide?
The canonical SMILES for 3-[cyclopropyl-[(6,8-difluoronaphthalen-2-yl)methylcarbamoyl]amino]-N-methylpiperidine-1-carboxamide;3-[cyclopropyl-[(7-methylnaphthalen-2-yl)methylcarbamoyl]amino]-5-(hydroxymethyl)-N-methylpiperidine-1-carboxamide is CNC(=O)N1CC(CO)CC(N(C(=O)NCc2ccc3ccc(C)cc3c2)C2CC2)C1.CNC(=O)N1CCCC(N(C(=O)NCc2ccc3cc(F)cc(F)c3c2)C2CC2)C1.
What is the InChIKey of 3-[cyclopropyl-[(6,8-difluoronaphthalen-2-yl)methylcarbamoyl]amino]-N-methylpiperidine-1-carboxamide;3-[cyclopropyl-[(7-methylnaphthalen-2-yl)methylcarbamoyl]amino]-5-(hydroxymethyl)-N-methylpiperidine-1-carboxamide?
The InChIKey is YWBKQEQYLCPBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3.C22H26F2N4O2/c1-16-3-5-19-6-4-17(10-20(19)9-16)12-26-24(31)28(21-7-8-21)22-11-18(15-29)13-27(14-22)23(30)25-2;1-25-21(29)27-8-2-3-18(13-27)28(17-6-7-17)22(30)26-12-14-4-5-15-10-16(23)11-20(24)19(15)9-14/h3-6,9-10,18,21-22,29H,7-8,11-15H2,1-2H3,(H,25,30)(H,26,31);4-5,9-11,17-18H,2-3,6-8,12-13H2,1H3,(H,25,29)(H,26,30).
What are the key properties of 3-[cyclopropyl-[(6,8-difluoronaphthalen-2-yl)methylcarbamoyl]amino]-N-methylpiperidine-1-carboxamide;3-[cyclopropyl-[(7-methylnaphthalen-2-yl)methylcarbamoyl]amino]-5-(hydroxymethyl)-N-methylpiperidine-1-carboxamide?
3-[cyclopropyl-[(6,8-difluoronaphthalen-2-yl)methylcarbamoyl]amino]-N-methylpiperidine-1-carboxamide;3-[cyclopropyl-[(7-methylnaphthalen-2-yl)methylcarbamoyl]amino]-5-(hydroxymethyl)-N-methylpiperidine-1-carboxamide has a molecular weight of 841.02 g/mol, XLogP of 6.44, 9 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[(6,8-difluoronaphthalen-2-yl)methylcarbamoyl]amino]-N-methylpiperidine-1-carboxamide;3-[cyclopropyl-[(7-methylnaphthalen-2-yl)methylcarbamoyl]amino]-5-(hydroxymethyl)-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 176713112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).