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

C23H26N2O3 — CID 51278700

IUPAC1-[3-(4-phenylmethoxypiperidine-1-carbonyl)phenyl]pyrrolidin-2-one
SMILESO=C(c1cccc(N2CCCC2=O)c1)N1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C23H26N2O3/c26-22-10-5-13-25(22)20-9-4-8-19(16-20)23(27)24-14-11-21(12-15-24)28-17-18-6-2-1-3-7-18/h1-4,6-9,16,21H,5,10-15,17H2
InChIKeyROQZMISZEHZIPZ-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.63
Rot. Bonds5

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

1-[3-(4-phenylmethoxypiperidine-1-carbonyl)phenyl]pyrrolidin-2-one (PubChem CID 51278700) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 1-[3-(4-phenylmethoxypiperidine-1-carbonyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(4-phenylmethoxypiperidine-1-carbonyl)phenyl]pyrrolidin-2-one
PubChem CID51278700
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name1-[3-(4-phenylmethoxypiperidine-1-carbonyl)phenyl]pyrrolidin-2-one
SMILESO=C(c1cccc(N2CCCC2=O)c1)N1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C23H26N2O3/c26-22-10-5-13-25(22)20-9-4-8-19(16-20)23(27)24-14-11-21(12-15-24)28-17-18-6-2-1-3-7-18/h1-4,6-9,16,21H,5,10-15,17H2
InChIKeyROQZMISZEHZIPZ-UHFFFAOYSA-N
XLogP3.63
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-phenylmethoxypiperidin-1-yl)-(3-pyrrol-1-ylphenyl)methanone
CID 55460591
1-[3-(4-benzoylpiperidine-1-carbonyl)phenyl]pyrrolidin-2-one
CID 18145970
1-[3-(3-phenoxypiperidine-1-carbonyl)phenyl]pyrrolidin-2-one
CID 110427239
(4-aminophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone
CID 119697040
[4-(aminomethyl)phenyl]-(4-phenylmethoxypiperidin-1-yl)methanone;hydrochloride
CID 119275315
1-[3-[3-[(4-chlorophenyl)methyl]pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 166613591
3-(2-oxopiperidin-1-yl)benzoic acid
CID 24689039
2-[1-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperidin-4-yl]-1,3-thiazole-5-carboxylic acid
CID 167959146
(3S,4S)-4-methyl-1-[3-(2-oxopyrrolidin-1-yl)benzoyl]pyrrolidine-3-carboxylic acid
CID 120953582
N-[2-(2-fluorophenyl)ethyl]-1-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-4-carboxamide
CID 55779188
[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 41485264
1-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]pyrrolidin-2-one
CID 3240026

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-phenylmethoxypiperidine-1-carbonyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(4-phenylmethoxypiperidine-1-carbonyl)phenyl]pyrrolidin-2-one (CID 51278700) is 1-[3-(4-phenylmethoxypiperidine-1-carbonyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(4-phenylmethoxypiperidine-1-carbonyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(4-phenylmethoxypiperidine-1-carbonyl)phenyl]pyrrolidin-2-one is O=C(c1cccc(N2CCCC2=O)c1)N1CCC(OCc2ccccc2)CC1.
What is the InChIKey of 1-[3-(4-phenylmethoxypiperidine-1-carbonyl)phenyl]pyrrolidin-2-one?
The InChIKey is ROQZMISZEHZIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c26-22-10-5-13-25(22)20-9-4-8-19(16-20)23(27)24-14-11-21(12-15-24)28-17-18-6-2-1-3-7-18/h1-4,6-9,16,21H,5,10-15,17H2.
What are the key properties of 1-[3-(4-phenylmethoxypiperidine-1-carbonyl)phenyl]pyrrolidin-2-one?
1-[3-(4-phenylmethoxypiperidine-1-carbonyl)phenyl]pyrrolidin-2-one has a molecular weight of 378.47 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-phenylmethoxypiperidine-1-carbonyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 51278700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).