1-[2-[1-[2-(3-chlorophenyl)-2-hydroxyacetyl]piperidin-4-yl]ethyl]pyrrolidin-2-one

C19H25ClN2O3 — CID 70752183

IUPAC1-[2-[1-[2-(3-chlorophenyl)-2-hydroxyacetyl]piperidin-4-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCC1CCN(C(=O)C(O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H25ClN2O3/c20-16-4-1-3-15(13-16)18(24)19(25)22-11-7-14(8-12-22)6-10-21-9-2-5-17(21)23/h1,3-4,13-14,18,24H,2,5-12H2
InChIKeyCKBBCPSTNUXMLG-UHFFFAOYSA-N
MW364.87 g/mol
LogP2.62
Rot. Bonds5

About 1-[2-[1-[2-(3-chlorophenyl)-2-hydroxyacetyl]piperidin-4-yl]ethyl]pyrrolidin-2-one

1-[2-[1-[2-(3-chlorophenyl)-2-hydroxyacetyl]piperidin-4-yl]ethyl]pyrrolidin-2-one (PubChem CID 70752183) has the molecular formula C19H25ClN2O3 and a molecular weight of 364.87 g/mol. Its IUPAC name is 1-[2-[1-[2-(3-chlorophenyl)-2-hydroxyacetyl]piperidin-4-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-[2-(3-chlorophenyl)-2-hydroxyacetyl]piperidin-4-yl]ethyl]pyrrolidin-2-one
PubChem CID70752183
Molecular FormulaC19H25ClN2O3
Molecular Weight364.87 g/mol
Exact Mass364.16
IUPAC Name1-[2-[1-[2-(3-chlorophenyl)-2-hydroxyacetyl]piperidin-4-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCC1CCN(C(=O)C(O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H25ClN2O3/c20-16-4-1-3-15(13-16)18(24)19(25)22-11-7-14(8-12-22)6-10-21-9-2-5-17(21)23/h1,3-4,13-14,18,24H,2,5-12H2
InChIKeyCKBBCPSTNUXMLG-UHFFFAOYSA-N
XLogP2.62
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.87
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[1-[(2R)-2-amino-2-phenylacetyl]piperidin-4-yl]ethyl]pyrrolidin-2-one;hydrochloride
CID 154896608
1-[2-[1-[(2S)-2-hydroxy-3-phenylpropanoyl]piperidin-4-yl]ethyl]pyrrolidin-2-one
CID 70784494
4-[2-(3-chlorophenyl)-2-hydroxyacetyl]-1-cyclopentylpiperazin-2-one
CID 77082700
1-[4-[1-(3-chlorophenyl)ethylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 43747786
1-[2-[1-(2-fluoro-6-methoxybenzoyl)piperidin-4-yl]ethyl]pyrrolidin-2-one
CID 70748094
2-[1-(3-chlorophenyl)ethyl-methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 87014789
(2S)-2-(3-chlorophenyl)-2-hydroxy-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanone
CID 95881067
2-(3-chlorophenyl)-2-hydroxy-1-(9-oxa-2-azaspiro[5.5]undecan-2-yl)ethanone
CID 118771498
[1-[(2S)-2-(3-chlorophenyl)propanoyl]piperidin-4-yl]methanesulfonamide
CID 96510197
N-[1-(3-chlorophenyl)ethyl]-2-(2-oxoazepan-1-yl)acetamide
CID 47005488
1-[2-[1-(1-methyl-5-phenylpyrrole-2-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one
CID 72901999
1'-[(2R)-2-(3-chlorophenyl)-2-hydroxyacetyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 96574170

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-[2-(3-chlorophenyl)-2-hydroxyacetyl]piperidin-4-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[1-[2-(3-chlorophenyl)-2-hydroxyacetyl]piperidin-4-yl]ethyl]pyrrolidin-2-one (CID 70752183) is 1-[2-[1-[2-(3-chlorophenyl)-2-hydroxyacetyl]piperidin-4-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[1-[2-(3-chlorophenyl)-2-hydroxyacetyl]piperidin-4-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[1-[2-(3-chlorophenyl)-2-hydroxyacetyl]piperidin-4-yl]ethyl]pyrrolidin-2-one is O=C1CCCN1CCC1CCN(C(=O)C(O)c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[2-[1-[2-(3-chlorophenyl)-2-hydroxyacetyl]piperidin-4-yl]ethyl]pyrrolidin-2-one?
The InChIKey is CKBBCPSTNUXMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O3/c20-16-4-1-3-15(13-16)18(24)19(25)22-11-7-14(8-12-22)6-10-21-9-2-5-17(21)23/h1,3-4,13-14,18,24H,2,5-12H2.
What are the key properties of 1-[2-[1-[2-(3-chlorophenyl)-2-hydroxyacetyl]piperidin-4-yl]ethyl]pyrrolidin-2-one?
1-[2-[1-[2-(3-chlorophenyl)-2-hydroxyacetyl]piperidin-4-yl]ethyl]pyrrolidin-2-one has a molecular weight of 364.87 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-[2-(3-chlorophenyl)-2-hydroxyacetyl]piperidin-4-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 70752183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).