1-[(2-chlorophenyl)methyl]-4-[(1-methylpiperidin-4-yl)amino]pyrrolidin-2-one

C17H24ClN3O — CID 45205641

IUPAC1-[(2-chlorophenyl)methyl]-4-[(1-methylpiperidin-4-yl)amino]pyrrolidin-2-one
SMILESCN1CCC(NC2CC(=O)N(Cc3ccccc3Cl)C2)CC1
InChIInChI=1S/C17H24ClN3O/c1-20-8-6-14(7-9-20)19-15-10-17(22)21(12-15)11-13-4-2-3-5-16(13)18/h2-5,14-15,19H,6-12H2,1H3
InChIKeyNADGGHACHZPGOE-UHFFFAOYSA-N
MW321.85 g/mol
LogP2.12
Rot. Bonds4

About 1-[(2-chlorophenyl)methyl]-4-[(1-methylpiperidin-4-yl)amino]pyrrolidin-2-one

1-[(2-chlorophenyl)methyl]-4-[(1-methylpiperidin-4-yl)amino]pyrrolidin-2-one (PubChem CID 45205641) has the molecular formula C17H24ClN3O and a molecular weight of 321.85 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-4-[(1-methylpiperidin-4-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-4-[(1-methylpiperidin-4-yl)amino]pyrrolidin-2-one
PubChem CID45205641
Molecular FormulaC17H24ClN3O
Molecular Weight321.85 g/mol
Exact Mass321.16
IUPAC Name1-[(2-chlorophenyl)methyl]-4-[(1-methylpiperidin-4-yl)amino]pyrrolidin-2-one
SMILESCN1CCC(NC2CC(=O)N(Cc3ccccc3Cl)C2)CC1
InChIInChI=1S/C17H24ClN3O/c1-20-8-6-14(7-9-20)19-15-10-17(22)21(12-15)11-13-4-2-3-5-16(13)18/h2-5,14-15,19H,6-12H2,1H3
InChIKeyNADGGHACHZPGOE-UHFFFAOYSA-N
XLogP2.12
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(1-methylpiperidin-4-yl)urea
CID 95598501
N-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]but-3-enamide
CID 42395266
N-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 42394735
4-[(2-amino-6-methylpyrimidin-4-yl)amino]-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one
CID 56894935
N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4,4,4-trifluorobutanamide
CID 45222736
1-benzyl-4-(2,3-dihydro-1H-inden-2-ylamino)pyrrolidin-2-one
CID 154860377
N-[(3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(methylamino)pyridine-4-carboxamide
CID 28785782
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 42943202
N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide
CID 45187441
N-[2-(2-chlorophenyl)ethyl]-1-methylpiperidin-4-amine
CID 23931096
N-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 25377158
5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]-6,6-dimethylpiperidin-2-one
CID 126807805

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-4-[(1-methylpiperidin-4-yl)amino]pyrrolidin-2-one?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-4-[(1-methylpiperidin-4-yl)amino]pyrrolidin-2-one (CID 45205641) is 1-[(2-chlorophenyl)methyl]-4-[(1-methylpiperidin-4-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-4-[(1-methylpiperidin-4-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-4-[(1-methylpiperidin-4-yl)amino]pyrrolidin-2-one is CN1CCC(NC2CC(=O)N(Cc3ccccc3Cl)C2)CC1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-4-[(1-methylpiperidin-4-yl)amino]pyrrolidin-2-one?
The InChIKey is NADGGHACHZPGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O/c1-20-8-6-14(7-9-20)19-15-10-17(22)21(12-15)11-13-4-2-3-5-16(13)18/h2-5,14-15,19H,6-12H2,1H3.
What are the key properties of 1-[(2-chlorophenyl)methyl]-4-[(1-methylpiperidin-4-yl)amino]pyrrolidin-2-one?
1-[(2-chlorophenyl)methyl]-4-[(1-methylpiperidin-4-yl)amino]pyrrolidin-2-one has a molecular weight of 321.85 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-4-[(1-methylpiperidin-4-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 45205641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).