1-benzoyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide

C23H27N3O2 — CID 110298371

IUPAC1-benzoyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C23H27N3O2/c27-22(24-20-8-10-21(11-9-20)25-14-4-5-15-25)18-12-16-26(17-13-18)23(28)19-6-2-1-3-7-19/h1-3,6-11,18H,4-5,12-17H2,(H,24,27)
InChIKeyVHLXIRUHHSECGA-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.78
Rot. Bonds4

About 1-benzoyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide

1-benzoyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide (PubChem CID 110298371) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-benzoyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
PubChem CID110298371
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name1-benzoyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C23H27N3O2/c27-22(24-20-8-10-21(11-9-20)25-14-4-5-15-25)18-12-16-26(17-13-18)23(28)19-6-2-1-3-7-19/h1-3,6-11,18H,4-5,12-17H2,(H,24,27)
InChIKeyVHLXIRUHHSECGA-UHFFFAOYSA-N
XLogP3.78
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-benzoylpiperazin-1-yl)phenyl]cyclopentanecarboxamide
CID 1055927
4-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119177742
N-(4-piperidin-1-ylphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 37070969
N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 41491961
1-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]-N-phenylpiperidine-4-carboxamide
CID 55397881
3-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119219598
1-benzoyl-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 110298361
1-(1-benzoylpiperidin-4-yl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 42693290
1-[4-(benzenesulfonamido)benzoyl]-N-phenylpiperidine-4-carboxamide
CID 55410159
N-(4-chlorophenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide
CID 126071800
1-(4-benzamidobenzoyl)piperidine-4-carboxylic acid
CID 94830857
1-(4-tert-butylbenzoyl)-N-phenylpiperidine-4-carboxamide
CID 113006047

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-benzoyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide (CID 110298371) is 1-benzoyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-benzoyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-benzoyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide is O=C(Nc1ccc(N2CCCC2)cc1)C1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 1-benzoyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide?
The InChIKey is VHLXIRUHHSECGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c27-22(24-20-8-10-21(11-9-20)25-14-4-5-15-25)18-12-16-26(17-13-18)23(28)19-6-2-1-3-7-19/h1-3,6-11,18H,4-5,12-17H2,(H,24,27).
What are the key properties of 1-benzoyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide?
1-benzoyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 110298371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).