2-(4-chlorophenyl)-1-[(2R)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]ethanone

C18H24ClN3O2 — CID 94248358

IUPAC2-(4-chlorophenyl)-1-[(2R)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]ethanone
SMILESCN1CCN(C(=O)[C@H]2CCCN2C(=O)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H24ClN3O2/c1-20-9-11-21(12-10-20)18(24)16-3-2-8-22(16)17(23)13-14-4-6-15(19)7-5-14/h4-7,16H,2-3,8-13H2,1H3/t16-/m1/s1
InChIKeyKAFBWHDNJREINR-MRXNPFEDSA-N
MW349.86 g/mol
LogP1.65
Rot. Bonds3

About 2-(4-chlorophenyl)-1-[(2R)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]ethanone

2-(4-chlorophenyl)-1-[(2R)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]ethanone (PubChem CID 94248358) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[(2R)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[(2R)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]ethanone
PubChem CID94248358
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC Name2-(4-chlorophenyl)-1-[(2R)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]ethanone
SMILESCN1CCN(C(=O)[C@H]2CCCN2C(=O)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H24ClN3O2/c1-20-9-11-21(12-10-20)18(24)16-3-2-8-22(16)17(23)13-14-4-6-15(19)7-5-14/h4-7,16H,2-3,8-13H2,1H3/t16-/m1/s1
InChIKeyKAFBWHDNJREINR-MRXNPFEDSA-N
XLogP1.65
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-chlorophenyl)-1-[(2R)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]ethanone 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

2-(4-chlorophenyl)-1-[(2S)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 94248357
2-(2-chlorophenyl)-1-[(2S)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 94161042
2-(4-chlorophenyl)-1-(2-cyclopropylpyrrolidin-1-yl)ethanone
CID 110871785
[1-(2,5-dichlorobenzoyl)pyrrolidin-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78859316
1-[2-(4-aminopiperidine-1-carbonyl)pyrrolidin-1-yl]-2-phenylethanone
CID 119374745
(5R)-1-[(4-chlorophenyl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 100815989
2-phenyl-1-[2-(4-phenylpiperidine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 47721714
N-[(4-chlorophenyl)methyl]-1-[2-(1-methylpyrazol-4-yl)acetyl]pyrrolidine-2-carboxamide
CID 123141099
2-(4-chlorophenyl)-1-(2,4-dimethylpiperazin-1-yl)ethanone
CID 110707760
[1-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 78866401
1-[2-[4-[2-(4-chlorophenoxy)acetyl]piperazine-1-carbonyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 55887788
1-[2-(chloromethyl)azepan-1-yl]-2-(4-chlorophenyl)ethanone
CID 116639127

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[(2R)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-[(2R)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]ethanone (CID 94248358) is 2-(4-chlorophenyl)-1-[(2R)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[(2R)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-[(2R)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]ethanone is CN1CCN(C(=O)[C@H]2CCCN2C(=O)Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[(2R)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]ethanone?
The InChIKey is KAFBWHDNJREINR-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H24ClN3O2/c1-20-9-11-21(12-10-20)18(24)16-3-2-8-22(16)17(23)13-14-4-6-15(19)7-5-14/h4-7,16H,2-3,8-13H2,1H3/t16-/m1/s1.
What are the key properties of 2-(4-chlorophenyl)-1-[(2R)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]ethanone?
2-(4-chlorophenyl)-1-[(2R)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]ethanone has a molecular weight of 349.86 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[(2R)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 94248358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).