4-[[5-[2-[2-[(1-benzylpiperidin-4-yl)amino]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]amino]-N-(2-fluorophenyl)piperidine-1-carboxamide

C35H37F4N7O3 — CID 58428728

IUPAC4-[[5-[2-[2-[(1-benzylpiperidin-4-yl)amino]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]amino]-N-(2-fluorophenyl)piperidine-1-carboxamide
SMILESO=C(Cc1ccc(NC2CCN(C(=O)Nc3ccccc3F)CC2)nc1)c1oc(NC2CCN(Cc3ccccc3)CC2)nc1C(F)(F)F
InChIInChI=1S/C35H37F4N7O3/c36-27-8-4-5-9-28(27)43-34(48)46-18-14-25(15-19-46)41-30-11-10-24(21-40-30)20-29(47)31-32(35(37,38)39)44-33(49-31)42-26-12-16-45(17-13-26)22-23-6-2-1-3-7-23/h1-11,21,25-26H,12-20,22H2,(H,40,41)(H,42,44)(H,43,48)
InChIKeyWJZAZIKMCYWBGL-UHFFFAOYSA-N
MW679.72 g/mol
LogP6.84
Rot. Bonds10

About 4-[[5-[2-[2-[(1-benzylpiperidin-4-yl)amino]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]amino]-N-(2-fluorophenyl)piperidine-1-carboxamide

4-[[5-[2-[2-[(1-benzylpiperidin-4-yl)amino]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]amino]-N-(2-fluorophenyl)piperidine-1-carboxamide (PubChem CID 58428728) has the molecular formula C35H37F4N7O3 and a molecular weight of 679.72 g/mol. Its IUPAC name is 4-[[5-[2-[2-[(1-benzylpiperidin-4-yl)amino]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]amino]-N-(2-fluorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[5-[2-[2-[(1-benzylpiperidin-4-yl)amino]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]amino]-N-(2-fluorophenyl)piperidine-1-carboxamide
PubChem CID58428728
Molecular FormulaC35H37F4N7O3
Molecular Weight679.72 g/mol
Exact Mass679.29
IUPAC Name4-[[5-[2-[2-[(1-benzylpiperidin-4-yl)amino]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]amino]-N-(2-fluorophenyl)piperidine-1-carboxamide
SMILESO=C(Cc1ccc(NC2CCN(C(=O)Nc3ccccc3F)CC2)nc1)c1oc(NC2CCN(Cc3ccccc3)CC2)nc1C(F)(F)F
InChIInChI=1S/C35H37F4N7O3/c36-27-8-4-5-9-28(27)43-34(48)46-18-14-25(15-19-46)41-30-11-10-24(21-40-30)20-29(47)31-32(35(37,38)39)44-33(49-31)42-26-12-16-45(17-13-26)22-23-6-2-1-3-7-23/h1-11,21,25-26H,12-20,22H2,(H,40,41)(H,42,44)(H,43,48)
InChIKeyWJZAZIKMCYWBGL-UHFFFAOYSA-N
XLogP6.84
TPSA115.63 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.72
LogP ≤ 56.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[[5-[2-[2-[(1-benzylpiperidin-4-yl)amino]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]amino]-N-(2-fluorophenyl)piperidine-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

N-[6-(4-phenylpiperidin-1-yl)pyridin-3-yl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 67389970
N-[6-[4-(2-fluorobenzoyl)piperazin-1-yl]pyridin-3-yl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 68235802
2-(2-fluorophenyl)-4-phenyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide
CID 16067539
N-cyclohexyl-4-[4-(4-fluorophenyl)-2-piperidin-1-yl-1,3-oxazol-5-yl]pyridin-2-amine
CID 18515970
N-(6-(4-benzyl-3-oxopiperazin-1-yl)pyridin-3-yl)-2-phenyl-4-(trifluoromethyl)oxazole-5-carboxamide
CID 46196328
N-[5-[4-[(2-methylphenyl)carbamoyl]phenyl]pyridin-2-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46196329
N-[6-[4-[(2R)-2-cyclohexyl-2-hydroxyacetyl]piperazin-1-yl]pyridin-3-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46207541
N-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]pyridin-3-yl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46207661
2-(4-phenylpiperidin-1-yl)-N-[6-[4-(1,2,3,4-tetrahydroquinoline-2-carbonyl)piperazin-1-yl]pyridin-3-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46207662
N-[6-[4-(N-cyano-C-pyrrolidin-1-ylcarbonimidoyl)piperazin-1-yl]pyridin-3-yl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46207663
N-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyridin-3-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46207664
N-[6-[4-(2,3-dihydro-1H-indole-2-carbonyl)piperazin-1-yl]pyridin-3-yl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46207783

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[2-[2-[(1-benzylpiperidin-4-yl)amino]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]amino]-N-(2-fluorophenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[[5-[2-[2-[(1-benzylpiperidin-4-yl)amino]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]amino]-N-(2-fluorophenyl)piperidine-1-carboxamide (CID 58428728) is 4-[[5-[2-[2-[(1-benzylpiperidin-4-yl)amino]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]amino]-N-(2-fluorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[[5-[2-[2-[(1-benzylpiperidin-4-yl)amino]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]amino]-N-(2-fluorophenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[[5-[2-[2-[(1-benzylpiperidin-4-yl)amino]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]amino]-N-(2-fluorophenyl)piperidine-1-carboxamide is O=C(Cc1ccc(NC2CCN(C(=O)Nc3ccccc3F)CC2)nc1)c1oc(NC2CCN(Cc3ccccc3)CC2)nc1C(F)(F)F.
What is the InChIKey of 4-[[5-[2-[2-[(1-benzylpiperidin-4-yl)amino]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]amino]-N-(2-fluorophenyl)piperidine-1-carboxamide?
The InChIKey is WJZAZIKMCYWBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37F4N7O3/c36-27-8-4-5-9-28(27)43-34(48)46-18-14-25(15-19-46)41-30-11-10-24(21-40-30)20-29(47)31-32(35(37,38)39)44-33(49-31)42-26-12-16-45(17-13-26)22-23-6-2-1-3-7-23/h1-11,21,25-26H,12-20,22H2,(H,40,41)(H,42,44)(H,43,48).
What are the key properties of 4-[[5-[2-[2-[(1-benzylpiperidin-4-yl)amino]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]amino]-N-(2-fluorophenyl)piperidine-1-carboxamide?
4-[[5-[2-[2-[(1-benzylpiperidin-4-yl)amino]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]amino]-N-(2-fluorophenyl)piperidine-1-carboxamide has a molecular weight of 679.72 g/mol, XLogP of 6.84, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[2-[2-[(1-benzylpiperidin-4-yl)amino]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]amino]-N-(2-fluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 58428728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).