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

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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).