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

C22H24N2O3 — CID 110427239

IUPAC1-[3-(3-phenoxypiperidine-1-carbonyl)phenyl]pyrrolidin-2-one
SMILESO=C(c1cccc(N2CCCC2=O)c1)N1CCCC(Oc2ccccc2)C1
InChIInChI=1S/C22H24N2O3/c25-21-12-6-14-24(21)18-8-4-7-17(15-18)22(26)23-13-5-11-20(16-23)27-19-9-2-1-3-10-19/h1-4,7-10,15,20H,5-6,11-14,16H2
InChIKeyWPKQIMZJSXPSOI-UHFFFAOYSA-N
MW364.44 g/mol
LogP3.50
Rot. Bonds4

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

1-[3-(3-phenoxypiperidine-1-carbonyl)phenyl]pyrrolidin-2-one (PubChem CID 110427239) has the molecular formula C22H24N2O3 and a molecular weight of 364.44 g/mol. Its IUPAC name is 1-[3-(3-phenoxypiperidine-1-carbonyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(3-phenoxypiperidine-1-carbonyl)phenyl]pyrrolidin-2-one
PubChem CID110427239
Molecular FormulaC22H24N2O3
Molecular Weight364.44 g/mol
Exact Mass364.18
IUPAC Name1-[3-(3-phenoxypiperidine-1-carbonyl)phenyl]pyrrolidin-2-one
SMILESO=C(c1cccc(N2CCCC2=O)c1)N1CCCC(Oc2ccccc2)C1
InChIInChI=1S/C22H24N2O3/c25-21-12-6-14-24(21)18-8-4-7-17(15-18)22(26)23-13-5-11-20(16-23)27-19-9-2-1-3-10-19/h1-4,7-10,15,20H,5-6,11-14,16H2
InChIKeyWPKQIMZJSXPSOI-UHFFFAOYSA-N
XLogP3.50
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluorophenyl)-(3-phenoxypiperidin-1-yl)methanone
CID 110605378
1-[3-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 119594404
1-[3-(4-benzoylpiperidine-1-carbonyl)phenyl]pyrrolidin-2-one
CID 18145970
1-[3-(4-phenylmethoxypiperidine-1-carbonyl)phenyl]pyrrolidin-2-one
CID 51278700
1-[3-[(6R)-4-acetyl-6-hydroxy-1,4-diazepane-1-carbonyl]phenyl]pyrrolidin-2-one
CID 97130043
(3S,4S)-4-methyl-1-[3-(2-oxopyrrolidin-1-yl)benzoyl]pyrrolidine-3-carboxylic acid
CID 120953582
3-(2-oxopiperidin-1-yl)benzoic acid
CID 24689039
2-[(2R)-4-[3-(2-oxopyrrolidin-1-yl)benzoyl]morpholin-2-yl]acetic acid
CID 125119172
1-[3-[3-[(4-chlorophenyl)methyl]pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 166613591
1-[3-[3-(2-fluorophenyl)-4-methylpiperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 110310472
1-[3-[(3R)-3-[[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]methyl]piperidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 98262011
1-[3-(1-hydroxyethenyl)phenyl]pyrrolidin-2-one
CID 70316561

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-phenoxypiperidine-1-carbonyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(3-phenoxypiperidine-1-carbonyl)phenyl]pyrrolidin-2-one (CID 110427239) is 1-[3-(3-phenoxypiperidine-1-carbonyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(3-phenoxypiperidine-1-carbonyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(3-phenoxypiperidine-1-carbonyl)phenyl]pyrrolidin-2-one is O=C(c1cccc(N2CCCC2=O)c1)N1CCCC(Oc2ccccc2)C1.
What is the InChIKey of 1-[3-(3-phenoxypiperidine-1-carbonyl)phenyl]pyrrolidin-2-one?
The InChIKey is WPKQIMZJSXPSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c25-21-12-6-14-24(21)18-8-4-7-17(15-18)22(26)23-13-5-11-20(16-23)27-19-9-2-1-3-10-19/h1-4,7-10,15,20H,5-6,11-14,16H2.
What are the key properties of 1-[3-(3-phenoxypiperidine-1-carbonyl)phenyl]pyrrolidin-2-one?
1-[3-(3-phenoxypiperidine-1-carbonyl)phenyl]pyrrolidin-2-one has a molecular weight of 364.44 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-phenoxypiperidine-1-carbonyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 110427239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).