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

C31H30N2O2S — CID 59527744

IUPAC4-phenyl-N-[(1S)-1-phenylethyl]-1-(5-phenylthiophene-2-carbonyl)piperidine-4-carboxamide
SMILESC[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)c2ccc(-c3ccccc3)s2)CC1)c1ccccc1
InChIInChI=1S/C31H30N2O2S/c1-23(24-11-5-2-6-12-24)32-30(35)31(26-15-9-4-10-16-26)19-21-33(22-20-31)29(34)28-18-17-27(36-28)25-13-7-3-8-14-25/h2-18,23H,19-22H2,1H3,(H,32,35)/t23-/m0/s1
InChIKeyZMODIMFKURPOKQ-QHCPKHFHSA-N
MW494.66 g/mol
LogP6.47
Rot. Bonds6

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

4-phenyl-N-[(1S)-1-phenylethyl]-1-(5-phenylthiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 59527744) has the molecular formula C31H30N2O2S and a molecular weight of 494.66 g/mol. Its IUPAC name is 4-phenyl-N-[(1S)-1-phenylethyl]-1-(5-phenylthiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-phenyl-N-[(1S)-1-phenylethyl]-1-(5-phenylthiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID59527744
Molecular FormulaC31H30N2O2S
Molecular Weight494.66 g/mol
Exact Mass494.20
IUPAC Name4-phenyl-N-[(1S)-1-phenylethyl]-1-(5-phenylthiophene-2-carbonyl)piperidine-4-carboxamide
SMILESC[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)c2ccc(-c3ccccc3)s2)CC1)c1ccccc1
InChIInChI=1S/C31H30N2O2S/c1-23(24-11-5-2-6-12-24)32-30(35)31(26-15-9-4-10-16-26)19-21-33(22-20-31)29(34)28-18-17-27(36-28)25-13-7-3-8-14-25/h2-18,23H,19-22H2,1H3,(H,32,35)/t23-/m0/s1
InChIKeyZMODIMFKURPOKQ-QHCPKHFHSA-N
XLogP6.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.66
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-N-[(1S)-1-phenylethyl]-1-(5-pyridin-2-ylthiophene-2-carbonyl)piperidine-4-carboxamide
CID 59527697
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
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-[4-(4-fluorophenyl)benzoyl]-4-phenylpiperidine-4-carboxamide
CID 59527736
1-(5-chlorothiophen-2-yl)sulfonyl-4-phenyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 41070987
1-[4-(4-cyanophenyl)piperazine-1-carbonyl]-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 59527808
1-acetyl-N-[(2R)-1-amino-1-oxopropan-2-yl]-4-phenylpiperidine-4-carboxamide
CID 97310746
N-[(1S)-1-(4-cyanophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide
CID 33361071
1-phenyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]cyclopropane-1-carboxamide
CID 51199191

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[(1S)-1-phenylethyl]-1-(5-phenylthiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of 4-phenyl-N-[(1S)-1-phenylethyl]-1-(5-phenylthiophene-2-carbonyl)piperidine-4-carboxamide (CID 59527744) is 4-phenyl-N-[(1S)-1-phenylethyl]-1-(5-phenylthiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for 4-phenyl-N-[(1S)-1-phenylethyl]-1-(5-phenylthiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for 4-phenyl-N-[(1S)-1-phenylethyl]-1-(5-phenylthiophene-2-carbonyl)piperidine-4-carboxamide is C[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)c2ccc(-c3ccccc3)s2)CC1)c1ccccc1.
What is the InChIKey of 4-phenyl-N-[(1S)-1-phenylethyl]-1-(5-phenylthiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is ZMODIMFKURPOKQ-QHCPKHFHSA-N. The full InChI is InChI=1S/C31H30N2O2S/c1-23(24-11-5-2-6-12-24)32-30(35)31(26-15-9-4-10-16-26)19-21-33(22-20-31)29(34)28-18-17-27(36-28)25-13-7-3-8-14-25/h2-18,23H,19-22H2,1H3,(H,32,35)/t23-/m0/s1.
What are the key properties of 4-phenyl-N-[(1S)-1-phenylethyl]-1-(5-phenylthiophene-2-carbonyl)piperidine-4-carboxamide?
4-phenyl-N-[(1S)-1-phenylethyl]-1-(5-phenylthiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 494.66 g/mol, XLogP of 6.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[(1S)-1-phenylethyl]-1-(5-phenylthiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 59527744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).