1-(2-chlorophenyl)-3-(3-hydroxypiperidin-1-yl)pyrrolidin-2-one

C15H19ClN2O2 — CID 111113258

IUPAC1-(2-chlorophenyl)-3-(3-hydroxypiperidin-1-yl)pyrrolidin-2-one
SMILESO=C1C(N2CCCC(O)C2)CCN1c1ccccc1Cl
InChIInChI=1S/C15H19ClN2O2/c16-12-5-1-2-6-13(12)18-9-7-14(15(18)20)17-8-3-4-11(19)10-17/h1-2,5-6,11,14,19H,3-4,7-10H2
InChIKeyMMKMZEXBZTXQTM-UHFFFAOYSA-N
MW294.78 g/mol
LogP1.90
Rot. Bonds2

About 1-(2-chlorophenyl)-3-(3-hydroxypiperidin-1-yl)pyrrolidin-2-one

1-(2-chlorophenyl)-3-(3-hydroxypiperidin-1-yl)pyrrolidin-2-one (PubChem CID 111113258) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(3-hydroxypiperidin-1-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(3-hydroxypiperidin-1-yl)pyrrolidin-2-one
PubChem CID111113258
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name1-(2-chlorophenyl)-3-(3-hydroxypiperidin-1-yl)pyrrolidin-2-one
SMILESO=C1C(N2CCCC(O)C2)CCN1c1ccccc1Cl
InChIInChI=1S/C15H19ClN2O2/c16-12-5-1-2-6-13(12)18-9-7-14(15(18)20)17-8-3-4-11(19)10-17/h1-2,5-6,11,14,19H,3-4,7-10H2
InChIKeyMMKMZEXBZTXQTM-UHFFFAOYSA-N
XLogP1.90
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-3-hydroxypiperidin-2-one
CID 117014113
3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(2-chlorophenyl)pyrrolidin-2-one;hydrochloride
CID 120761126
(3S)-3-amino-1-(2-chlorophenyl)pyrrolidin-2-one
CID 11128620
(3aS,6aR)-2-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid;hydrochloride
CID 120680624
(7aR)-2-(2,3-dichlorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 141029515
3-tert-butyl-1-(2-chlorophenyl)piperidin-2-one
CID 176632025
1-[[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122001630
1-(2-chlorophenyl)azetidin-3-ol
CID 170732975
(2R,4R)-N-[(3R)-1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide
CID 124701714
1-(3-chloro-4-fluorophenyl)-3-[3-(1-hydroxyethyl)piperidin-1-yl]pyrrolidin-2-one
CID 84597909
2-(2-chlorophenyl)-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944967
2-(2-chlorophenyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 43402856

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(3-hydroxypiperidin-1-yl)pyrrolidin-2-one?
The IUPAC name of 1-(2-chlorophenyl)-3-(3-hydroxypiperidin-1-yl)pyrrolidin-2-one (CID 111113258) is 1-(2-chlorophenyl)-3-(3-hydroxypiperidin-1-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(3-hydroxypiperidin-1-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-chlorophenyl)-3-(3-hydroxypiperidin-1-yl)pyrrolidin-2-one is O=C1C(N2CCCC(O)C2)CCN1c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-(3-hydroxypiperidin-1-yl)pyrrolidin-2-one?
The InChIKey is MMKMZEXBZTXQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c16-12-5-1-2-6-13(12)18-9-7-14(15(18)20)17-8-3-4-11(19)10-17/h1-2,5-6,11,14,19H,3-4,7-10H2.
What are the key properties of 1-(2-chlorophenyl)-3-(3-hydroxypiperidin-1-yl)pyrrolidin-2-one?
1-(2-chlorophenyl)-3-(3-hydroxypiperidin-1-yl)pyrrolidin-2-one has a molecular weight of 294.78 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(3-hydroxypiperidin-1-yl)pyrrolidin-2-one is sourced from PubChem (CID 111113258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).