1-[4-(2-oxopiperidin-1-yl)benzoyl]-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide

C32H35N3O3 — CID 59527743

IUPAC1-[4-(2-oxopiperidin-1-yl)benzoyl]-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
SMILESC[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)c2ccc(N3CCCCC3=O)cc2)CC1)c1ccccc1
InChIInChI=1S/C32H35N3O3/c1-24(25-10-4-2-5-11-25)33-31(38)32(27-12-6-3-7-13-27)19-22-34(23-20-32)30(37)26-15-17-28(18-16-26)35-21-9-8-14-29(35)36/h2-7,10-13,15-18,24H,8-9,14,19-23H2,1H3,(H,33,38)/t24-/m0/s1
InChIKeyJMFWEFPRTGZDFQ-DEOSSOPVSA-N
MW509.65 g/mol
LogP5.25
Rot. Bonds6

About 1-[4-(2-oxopiperidin-1-yl)benzoyl]-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide

1-[4-(2-oxopiperidin-1-yl)benzoyl]-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide (PubChem CID 59527743) has the molecular formula C32H35N3O3 and a molecular weight of 509.65 g/mol. Its IUPAC name is 1-[4-(2-oxopiperidin-1-yl)benzoyl]-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(2-oxopiperidin-1-yl)benzoyl]-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
PubChem CID59527743
Molecular FormulaC32H35N3O3
Molecular Weight509.65 g/mol
Exact Mass509.27
IUPAC Name1-[4-(2-oxopiperidin-1-yl)benzoyl]-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
SMILESC[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)c2ccc(N3CCCCC3=O)cc2)CC1)c1ccccc1
InChIInChI=1S/C32H35N3O3/c1-24(25-10-4-2-5-11-25)33-31(38)32(27-12-6-3-7-13-27)19-22-34(23-20-32)30(37)26-15-17-28(18-16-26)35-21-9-8-14-29(35)36/h2-7,10-13,15-18,24H,8-9,14,19-23H2,1H3,(H,33,38)/t24-/m0/s1
InChIKeyJMFWEFPRTGZDFQ-DEOSSOPVSA-N
XLogP5.25
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.65
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(2-oxopiperidin-1-yl)benzoyl]-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide with MolForge

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Related Compounds

4-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-[4-(2-oxopiperidin-1-yl)benzoyl]piperidine-4-carboxamide
CID 59527832
4-phenyl-N-[(1S)-1-phenylethyl]-1-(4-piperidin-1-ylbenzoyl)piperidine-4-carboxamide
CID 59527796
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-[4-(4-fluorophenyl)benzoyl]-4-phenylpiperidine-4-carboxamide
CID 59527736
4-phenyl-N-[(1S)-1-phenylethyl]-1-(5-phenylthiophene-2-carbonyl)piperidine-4-carboxamide
CID 59527744
1-acetyl-N-[1-(4-chlorophenyl)ethyl]-4-phenylpiperidine-4-carboxamide
CID 55368369
N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]-4-phenylpiperidine-4-carboxamide
CID 59527695
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-1-phenylcyclopropane-1-carboxamide
CID 16764862
2-amino-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-2-phenylacetamide
CID 119307520
4-hydroxy-1-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-4-carboxylic acid
CID 119250901
4-phenyl-1-(4-propan-2-ylbenzoyl)piperidine-4-carboxylic acid
CID 45433205
1-[4-(4-cyanophenyl)piperazine-1-carbonyl]-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 59527808
1-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]piperidin-2-one
CID 110882060

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-oxopiperidin-1-yl)benzoyl]-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-(2-oxopiperidin-1-yl)benzoyl]-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide (CID 59527743) is 1-[4-(2-oxopiperidin-1-yl)benzoyl]-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(2-oxopiperidin-1-yl)benzoyl]-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(2-oxopiperidin-1-yl)benzoyl]-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide is C[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)c2ccc(N3CCCCC3=O)cc2)CC1)c1ccccc1.
What is the InChIKey of 1-[4-(2-oxopiperidin-1-yl)benzoyl]-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide?
The InChIKey is JMFWEFPRTGZDFQ-DEOSSOPVSA-N. The full InChI is InChI=1S/C32H35N3O3/c1-24(25-10-4-2-5-11-25)33-31(38)32(27-12-6-3-7-13-27)19-22-34(23-20-32)30(37)26-15-17-28(18-16-26)35-21-9-8-14-29(35)36/h2-7,10-13,15-18,24H,8-9,14,19-23H2,1H3,(H,33,38)/t24-/m0/s1.
What are the key properties of 1-[4-(2-oxopiperidin-1-yl)benzoyl]-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide?
1-[4-(2-oxopiperidin-1-yl)benzoyl]-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide has a molecular weight of 509.65 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-oxopiperidin-1-yl)benzoyl]-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide is sourced from PubChem (CID 59527743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).