4-phenyl-N-[(1S)-1-phenylethyl]-1-(5-pyridin-2-ylthiophene-2-carbonyl)piperidine-4-carboxamide

C30H29N3O2S — CID 59527697

IUPAC4-phenyl-N-[(1S)-1-phenylethyl]-1-(5-pyridin-2-ylthiophene-2-carbonyl)piperidine-4-carboxamide
SMILESC[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)c2ccc(-c3ccccn3)s2)CC1)c1ccccc1
InChIInChI=1S/C30H29N3O2S/c1-22(23-10-4-2-5-11-23)32-29(35)30(24-12-6-3-7-13-24)17-20-33(21-18-30)28(34)27-16-15-26(36-27)25-14-8-9-19-31-25/h2-16,19,22H,17-18,20-21H2,1H3,(H,32,35)/t22-/m0/s1
InChIKeyCHWCWCTZIKHQFF-QFIPXVFZSA-N
MW495.65 g/mol
LogP5.86
Rot. Bonds6

About 4-phenyl-N-[(1S)-1-phenylethyl]-1-(5-pyridin-2-ylthiophene-2-carbonyl)piperidine-4-carboxamide

4-phenyl-N-[(1S)-1-phenylethyl]-1-(5-pyridin-2-ylthiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 59527697) has the molecular formula C30H29N3O2S and a molecular weight of 495.65 g/mol. Its IUPAC name is 4-phenyl-N-[(1S)-1-phenylethyl]-1-(5-pyridin-2-ylthiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-phenyl-N-[(1S)-1-phenylethyl]-1-(5-pyridin-2-ylthiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID59527697
Molecular FormulaC30H29N3O2S
Molecular Weight495.65 g/mol
Exact Mass495.20
IUPAC Name4-phenyl-N-[(1S)-1-phenylethyl]-1-(5-pyridin-2-ylthiophene-2-carbonyl)piperidine-4-carboxamide
SMILESC[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)c2ccc(-c3ccccn3)s2)CC1)c1ccccc1
InChIInChI=1S/C30H29N3O2S/c1-22(23-10-4-2-5-11-23)32-29(35)30(24-12-6-3-7-13-24)17-20-33(21-18-30)28(34)27-16-15-26(36-27)25-14-8-9-19-31-25/h2-16,19,22H,17-18,20-21H2,1H3,(H,32,35)/t22-/m0/s1
InChIKeyCHWCWCTZIKHQFF-QFIPXVFZSA-N
XLogP5.86
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.65
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-phenyl-N-[(1S)-1-phenylethyl]-1-(5-pyridin-2-ylthiophene-2-carbonyl)piperidine-4-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

4-phenyl-N-[(1S)-1-phenylethyl]-1-(5-phenylthiophene-2-carbonyl)piperidine-4-carboxamide
CID 59527744
1-(2-morpholin-4-yl-1,3-thiazole-5-carbonyl)-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 59527728
4-phenyl-N-[(1S)-1-phenylethyl]-1-(4-piperidin-1-ylbenzoyl)piperidine-4-carboxamide
CID 59527796
1-acetyl-N-[1-(4-chlorophenyl)ethyl]-4-phenylpiperidine-4-carboxamide
CID 55368369
1-[4-(2-oxopiperidin-1-yl)benzoyl]-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 59527743
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide
CID 26071120
(2-methylsulfanyl-3-pyridinyl)-[2-(5-pyridin-2-ylthiophene-2-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 3868204
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-[4-(4-fluorophenyl)benzoyl]-4-phenylpiperidine-4-carboxamide
CID 59527736
1-[4-(4-cyanophenyl)piperazine-1-carbonyl]-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 59527808
1-phenyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]cyclopropane-1-carboxamide
CID 51199191
3,6-dihydro-2H-pyridin-1-yl-(5-pyridin-2-ylthiophen-2-yl)methanone
CID 6737250
1-(5-chlorothiophen-2-yl)sulfonyl-4-phenyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 41070987

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[(1S)-1-phenylethyl]-1-(5-pyridin-2-ylthiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of 4-phenyl-N-[(1S)-1-phenylethyl]-1-(5-pyridin-2-ylthiophene-2-carbonyl)piperidine-4-carboxamide (CID 59527697) is 4-phenyl-N-[(1S)-1-phenylethyl]-1-(5-pyridin-2-ylthiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for 4-phenyl-N-[(1S)-1-phenylethyl]-1-(5-pyridin-2-ylthiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for 4-phenyl-N-[(1S)-1-phenylethyl]-1-(5-pyridin-2-ylthiophene-2-carbonyl)piperidine-4-carboxamide is C[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)c2ccc(-c3ccccn3)s2)CC1)c1ccccc1.
What is the InChIKey of 4-phenyl-N-[(1S)-1-phenylethyl]-1-(5-pyridin-2-ylthiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is CHWCWCTZIKHQFF-QFIPXVFZSA-N. The full InChI is InChI=1S/C30H29N3O2S/c1-22(23-10-4-2-5-11-23)32-29(35)30(24-12-6-3-7-13-24)17-20-33(21-18-30)28(34)27-16-15-26(36-27)25-14-8-9-19-31-25/h2-16,19,22H,17-18,20-21H2,1H3,(H,32,35)/t22-/m0/s1.
What are the key properties of 4-phenyl-N-[(1S)-1-phenylethyl]-1-(5-pyridin-2-ylthiophene-2-carbonyl)piperidine-4-carboxamide?
4-phenyl-N-[(1S)-1-phenylethyl]-1-(5-pyridin-2-ylthiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 495.65 g/mol, XLogP of 5.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[(1S)-1-phenylethyl]-1-(5-pyridin-2-ylthiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 59527697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).