(4S)-4-[4-(3-chloro-4-pyridinyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one

C15H19ClN4O2 — CID 97242543

IUPAC(4S)-4-[4-(3-chloro-4-pyridinyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
SMILESCN1C[C@@H](C(=O)N2CCN(c3ccncc3Cl)CC2)CC1=O
InChIInChI=1S/C15H19ClN4O2/c1-18-10-11(8-14(18)21)15(22)20-6-4-19(5-7-20)13-2-3-17-9-12(13)16/h2-3,9,11H,4-8,10H2,1H3/t11-/m0/s1
InChIKeyNXOARYIPTJNXDB-NSHDSACASA-N
MW322.80 g/mol
LogP0.86
Rot. Bonds2

About (4S)-4-[4-(3-chloro-4-pyridinyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one

(4S)-4-[4-(3-chloro-4-pyridinyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one (PubChem CID 97242543) has the molecular formula C15H19ClN4O2 and a molecular weight of 322.80 g/mol. Its IUPAC name is (4S)-4-[4-(3-chloro-4-pyridinyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[4-(3-chloro-4-pyridinyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
PubChem CID97242543
Molecular FormulaC15H19ClN4O2
Molecular Weight322.80 g/mol
Exact Mass322.12
IUPAC Name(4S)-4-[4-(3-chloro-4-pyridinyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
SMILESCN1C[C@@H](C(=O)N2CCN(c3ccncc3Cl)CC2)CC1=O
InChIInChI=1S/C15H19ClN4O2/c1-18-10-11(8-14(18)21)15(22)20-6-4-19(5-7-20)13-2-3-17-9-12(13)16/h2-3,9,11H,4-8,10H2,1H3/t11-/m0/s1
InChIKeyNXOARYIPTJNXDB-NSHDSACASA-N
XLogP0.86
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S)-4-[4-(3-chloro-4-pyridinyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-[(1R)-2,2-dichlorocyclopropyl]methanone
CID 97242539
(5R)-5-[4-(3-chloro-4-pyridinyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 84589800
[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-(oxolan-3-yl)methanone
CID 84589797
1-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 133335378
(4R)-4-[4-(3-chloro-2-pyridinyl)piperazine-1-carbonyl]-1-methylpiperidin-2-one
CID 94525523
1-methyl-4-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 82508282
4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 75460850
4-[4-(3-methyl-4-pyridinyl)piperazine-1-carbonyl]-1-(4-propan-2-ylphenyl)pyrrolidin-2-one
CID 131902488
(4R)-4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 51937420
[1-(3-chloro-4-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone
CID 155800075
(4R)-1-methyl-4-[4-(2-phenylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 94092841
(4S)-4-(4-benzyl-1,4-diazepane-1-carbonyl)-1-methylpyrrolidin-2-one
CID 94092803

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[4-(3-chloro-4-pyridinyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one?
The IUPAC name of (4S)-4-[4-(3-chloro-4-pyridinyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one (CID 97242543) is (4S)-4-[4-(3-chloro-4-pyridinyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[4-(3-chloro-4-pyridinyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one?
The canonical SMILES for (4S)-4-[4-(3-chloro-4-pyridinyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one is CN1C[C@@H](C(=O)N2CCN(c3ccncc3Cl)CC2)CC1=O.
What is the InChIKey of (4S)-4-[4-(3-chloro-4-pyridinyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one?
The InChIKey is NXOARYIPTJNXDB-NSHDSACASA-N. The full InChI is InChI=1S/C15H19ClN4O2/c1-18-10-11(8-14(18)21)15(22)20-6-4-19(5-7-20)13-2-3-17-9-12(13)16/h2-3,9,11H,4-8,10H2,1H3/t11-/m0/s1.
What are the key properties of (4S)-4-[4-(3-chloro-4-pyridinyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one?
(4S)-4-[4-(3-chloro-4-pyridinyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one has a molecular weight of 322.80 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[4-(3-chloro-4-pyridinyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 97242543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).