1-[5-chloro-2-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one

C21H29ClN4O2 — CID 30739774

IUPAC1-[5-chloro-2-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
SMILESO=C(c1ccc(Cl)cc1N1CCCC1=O)N1CCN(CCN2CCCC2)CC1
InChIInChI=1S/C21H29ClN4O2/c22-17-5-6-18(19(16-17)26-9-3-4-20(26)27)21(28)25-14-12-24(13-15-25)11-10-23-7-1-2-8-23/h5-6,16H,1-4,7-15H2
InChIKeyGJNGVDDPAUALHS-UHFFFAOYSA-N
MW404.94 g/mol
LogP2.32
Rot. Bonds5

About 1-[5-chloro-2-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one

1-[5-chloro-2-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one (PubChem CID 30739774) has the molecular formula C21H29ClN4O2 and a molecular weight of 404.94 g/mol. Its IUPAC name is 1-[5-chloro-2-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[5-chloro-2-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
PubChem CID30739774
Molecular FormulaC21H29ClN4O2
Molecular Weight404.94 g/mol
Exact Mass404.20
IUPAC Name1-[5-chloro-2-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
SMILESO=C(c1ccc(Cl)cc1N1CCCC1=O)N1CCN(CCN2CCCC2)CC1
InChIInChI=1S/C21H29ClN4O2/c22-17-5-6-18(19(16-17)26-9-3-4-20(26)27)21(28)25-14-12-24(13-15-25)11-10-23-7-1-2-8-23/h5-6,16H,1-4,7-15H2
InChIKeyGJNGVDDPAUALHS-UHFFFAOYSA-N
XLogP2.32
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.94
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazine-1-carbonyl]-5-chlorophenyl]pyrrolidin-2-one
CID 55441070
(4-chloro-2-methylphenyl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 122145539
1-[5-chloro-2-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 26002759
1-[5-chloro-2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 45353925
4-chloro-2-(2-oxopyrrolidin-1-yl)-N-piperidin-1-ylbenzamide
CID 9083960
1-[2-[4-(3-acetylphenyl)sulfonylpiperazine-1-carbonyl]-5-chlorophenyl]pyrrolidin-2-one
CID 55480050
5-chloro-2-(2-oxopyrrolidin-1-yl)benzoic acid
CID 16772914
1-(2-bromo-5-chlorophenyl)pyrrolidin-2-one
CID 81273262
N'-[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 36846071
4-chloro-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 34249962
1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 110603511
N'-[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]-2,4-dimethylbenzohydrazide
CID 9084885

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[5-chloro-2-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one (CID 30739774) is 1-[5-chloro-2-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[5-chloro-2-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[5-chloro-2-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one is O=C(c1ccc(Cl)cc1N1CCCC1=O)N1CCN(CCN2CCCC2)CC1.
What is the InChIKey of 1-[5-chloro-2-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one?
The InChIKey is GJNGVDDPAUALHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN4O2/c22-17-5-6-18(19(16-17)26-9-3-4-20(26)27)21(28)25-14-12-24(13-15-25)11-10-23-7-1-2-8-23/h5-6,16H,1-4,7-15H2.
What are the key properties of 1-[5-chloro-2-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one?
1-[5-chloro-2-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one has a molecular weight of 404.94 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 30739774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).