1-[3-(4-benzoylpiperidine-1-carbonyl)phenyl]pyrrolidin-2-one

C23H24N2O3 — CID 18145970

IUPAC1-[3-(4-benzoylpiperidine-1-carbonyl)phenyl]pyrrolidin-2-one
SMILESO=C(c1ccccc1)C1CCN(C(=O)c2cccc(N3CCCC3=O)c2)CC1
InChIInChI=1S/C23H24N2O3/c26-21-10-5-13-25(21)20-9-4-8-19(16-20)23(28)24-14-11-18(12-15-24)22(27)17-6-2-1-3-7-17/h1-4,6-9,16,18H,5,10-15H2
InChIKeyJDNXTEIXJJFYOB-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.55
Rot. Bonds4

About 1-[3-(4-benzoylpiperidine-1-carbonyl)phenyl]pyrrolidin-2-one

1-[3-(4-benzoylpiperidine-1-carbonyl)phenyl]pyrrolidin-2-one (PubChem CID 18145970) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-[3-(4-benzoylpiperidine-1-carbonyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(4-benzoylpiperidine-1-carbonyl)phenyl]pyrrolidin-2-one
PubChem CID18145970
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name1-[3-(4-benzoylpiperidine-1-carbonyl)phenyl]pyrrolidin-2-one
SMILESO=C(c1ccccc1)C1CCN(C(=O)c2cccc(N3CCCC3=O)c2)CC1
InChIInChI=1S/C23H24N2O3/c26-21-10-5-13-25(21)20-9-4-8-19(16-20)23(28)24-14-11-18(12-15-24)22(27)17-6-2-1-3-7-17/h1-4,6-9,16,18H,5,10-15H2
InChIKeyJDNXTEIXJJFYOB-UHFFFAOYSA-N
XLogP3.55
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-phenylmethoxypiperidine-1-carbonyl)phenyl]pyrrolidin-2-one
CID 51278700
3-(2-oxopiperidin-1-yl)benzoic acid
CID 24689039
[1-(3-aminobenzoyl)piperidin-4-yl]-phenylmethanone
CID 119699757
N-(5-methyl-1,2-oxazol-3-yl)-1-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-4-carboxamide
CID 51300296
N-[2-(2-fluorophenyl)ethyl]-1-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-4-carboxamide
CID 55779188
1-[3-(3-phenoxypiperidine-1-carbonyl)phenyl]pyrrolidin-2-one
CID 110427239
2-[1-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperidin-4-yl]-1,3-thiazole-5-carboxylic acid
CID 167959146
N-(5-methyl-2-pyridinyl)-1-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-4-carboxamide
CID 55810049
(3S,4S)-4-methyl-1-[3-(2-oxopyrrolidin-1-yl)benzoyl]pyrrolidine-3-carboxylic acid
CID 120953582
1-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]pyrrolidin-2-one
CID 3240026
1-[3-[(6R)-4-acetyl-6-hydroxy-1,4-diazepane-1-carbonyl]phenyl]pyrrolidin-2-one
CID 97130043
1-[3-(1-hydroxyethenyl)phenyl]pyrrolidin-2-one
CID 70316561

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-benzoylpiperidine-1-carbonyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(4-benzoylpiperidine-1-carbonyl)phenyl]pyrrolidin-2-one (CID 18145970) is 1-[3-(4-benzoylpiperidine-1-carbonyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(4-benzoylpiperidine-1-carbonyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(4-benzoylpiperidine-1-carbonyl)phenyl]pyrrolidin-2-one is O=C(c1ccccc1)C1CCN(C(=O)c2cccc(N3CCCC3=O)c2)CC1.
What is the InChIKey of 1-[3-(4-benzoylpiperidine-1-carbonyl)phenyl]pyrrolidin-2-one?
The InChIKey is JDNXTEIXJJFYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c26-21-10-5-13-25(21)20-9-4-8-19(16-20)23(28)24-14-11-18(12-15-24)22(27)17-6-2-1-3-7-17/h1-4,6-9,16,18H,5,10-15H2.
What are the key properties of 1-[3-(4-benzoylpiperidine-1-carbonyl)phenyl]pyrrolidin-2-one?
1-[3-(4-benzoylpiperidine-1-carbonyl)phenyl]pyrrolidin-2-one has a molecular weight of 376.46 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-benzoylpiperidine-1-carbonyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 18145970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).