N-[[(2S)-oxolan-2-yl]methyl]-1-(4-phenylbenzoyl)piperidine-4-carboxamide

C24H28N2O3 — CID 1082905

IUPACN-[[(2S)-oxolan-2-yl]methyl]-1-(4-phenylbenzoyl)piperidine-4-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C24H28N2O3/c27-23(25-17-22-7-4-16-29-22)20-12-14-26(15-13-20)24(28)21-10-8-19(9-11-21)18-5-2-1-3-6-18/h1-3,5-6,8-11,20,22H,4,7,12-17H2,(H,25,27)/t22-/m0/s1
InChIKeySCWHLCZYAAGDFU-QFIPXVFZSA-N
MW392.50 g/mol
LogP3.50
Rot. Bonds5

About N-[[(2S)-oxolan-2-yl]methyl]-1-(4-phenylbenzoyl)piperidine-4-carboxamide

N-[[(2S)-oxolan-2-yl]methyl]-1-(4-phenylbenzoyl)piperidine-4-carboxamide (PubChem CID 1082905) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[[(2S)-oxolan-2-yl]methyl]-1-(4-phenylbenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-oxolan-2-yl]methyl]-1-(4-phenylbenzoyl)piperidine-4-carboxamide
PubChem CID1082905
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC NameN-[[(2S)-oxolan-2-yl]methyl]-1-(4-phenylbenzoyl)piperidine-4-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C24H28N2O3/c27-23(25-17-22-7-4-16-29-22)20-12-14-26(15-13-20)24(28)21-10-8-19(9-11-21)18-5-2-1-3-6-18/h1-3,5-6,8-11,20,22H,4,7,12-17H2,(H,25,27)/t22-/m0/s1
InChIKeySCWHLCZYAAGDFU-QFIPXVFZSA-N
XLogP3.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorobenzoyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 17019005
N-(oxolan-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 18168423
1-(3-methoxybenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 124749040
1-(3-methoxybenzoyl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 124749039
N-(oxolan-2-ylmethyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
CID 83278502
N-(oxolan-2-ylmethyl)-1-(2,3,4-trifluorobenzoyl)piperidine-4-carboxamide
CID 113003389
N-(oxolan-2-ylmethyl)-4-(4-phenylpiperazine-1-carbonyl)benzamide
CID 109045596
N-[[(2R)-oxolan-2-yl]methyl]-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide
CID 126025662
1-(4-fluorobenzoyl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 18154535
1-(oxolane-2-carbonyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 113003358
2-(4-benzoylpiperazin-1-ium-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 8596786
1-[4-(oxolan-2-ylmethylsulfamoyl)benzoyl]piperidine-4-carboxylic acid
CID 45341313

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-1-(4-phenylbenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-1-(4-phenylbenzoyl)piperidine-4-carboxamide (CID 1082905) is N-[[(2S)-oxolan-2-yl]methyl]-1-(4-phenylbenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[[(2S)-oxolan-2-yl]methyl]-1-(4-phenylbenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[[(2S)-oxolan-2-yl]methyl]-1-(4-phenylbenzoyl)piperidine-4-carboxamide is O=C(NC[C@@H]1CCCO1)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of N-[[(2S)-oxolan-2-yl]methyl]-1-(4-phenylbenzoyl)piperidine-4-carboxamide?
The InChIKey is SCWHLCZYAAGDFU-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H28N2O3/c27-23(25-17-22-7-4-16-29-22)20-12-14-26(15-13-20)24(28)21-10-8-19(9-11-21)18-5-2-1-3-6-18/h1-3,5-6,8-11,20,22H,4,7,12-17H2,(H,25,27)/t22-/m0/s1.
What are the key properties of N-[[(2S)-oxolan-2-yl]methyl]-1-(4-phenylbenzoyl)piperidine-4-carboxamide?
N-[[(2S)-oxolan-2-yl]methyl]-1-(4-phenylbenzoyl)piperidine-4-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxolan-2-yl]methyl]-1-(4-phenylbenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 1082905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).