[2-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]pyrrolidin-1-yl]-cyclohexylmethanone

C23H30ClN3O3 — CID 55730027

IUPAC[2-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]pyrrolidin-1-yl]-cyclohexylmethanone
SMILESO=C(c1ccc(Cl)cc1)N1CCN(C(=O)C2CCCN2C(=O)C2CCCCC2)CC1
InChIInChI=1S/C23H30ClN3O3/c24-19-10-8-18(9-11-19)21(28)25-13-15-26(16-14-25)23(30)20-7-4-12-27(20)22(29)17-5-2-1-3-6-17/h8-11,17,20H,1-7,12-16H2
InChIKeyVYSQWCXUKNPQAJ-UHFFFAOYSA-N
MW431.96 g/mol
LogP3.20
Rot. Bonds3

About [2-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]pyrrolidin-1-yl]-cyclohexylmethanone

[2-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]pyrrolidin-1-yl]-cyclohexylmethanone (PubChem CID 55730027) has the molecular formula C23H30ClN3O3 and a molecular weight of 431.96 g/mol. Its IUPAC name is [2-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]pyrrolidin-1-yl]-cyclohexylmethanone.

Molecular Properties

Compound Name[2-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]pyrrolidin-1-yl]-cyclohexylmethanone
PubChem CID55730027
Molecular FormulaC23H30ClN3O3
Molecular Weight431.96 g/mol
Exact Mass431.20
IUPAC Name[2-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]pyrrolidin-1-yl]-cyclohexylmethanone
SMILESO=C(c1ccc(Cl)cc1)N1CCN(C(=O)C2CCCN2C(=O)C2CCCCC2)CC1
InChIInChI=1S/C23H30ClN3O3/c24-19-10-8-18(9-11-19)21(28)25-13-15-26(16-14-25)23(30)20-7-4-12-27(20)22(29)17-5-2-1-3-6-17/h8-11,17,20H,1-7,12-16H2
InChIKeyVYSQWCXUKNPQAJ-UHFFFAOYSA-N
XLogP3.20
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.96
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-1-[4-[1-(cyclohexanecarbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]ethanone
CID 55887148
[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 110797025
cyclohexyl-[2-(4-phenylpiperazine-1-carbonyl)pyrrolidin-1-yl]methanone
CID 55731339
cyclohexyl-[4-(4-methylbenzoyl)piperazin-1-yl]methanone
CID 110346969
[(3S)-1-(4-chlorobenzoyl)piperidin-3-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone
CID 32820227
[1-(4-chlorobenzoyl)piperidin-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78769153
N-[4-(azepane-1-carbonyl)phenyl]-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide
CID 55887233
(1-benzoylpyrrolidin-2-yl)-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone
CID 112821649
cyclohexyl-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110797446
cyclohexyl-[4-(3,4-dichlorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 108543908
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-1-piperidin-1-ylethanone
CID 46023982
(2S)-N-(4-chlorophenyl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 110286201

Frequently Asked Questions

What is the IUPAC name of [2-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]pyrrolidin-1-yl]-cyclohexylmethanone?
The IUPAC name of [2-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]pyrrolidin-1-yl]-cyclohexylmethanone (CID 55730027) is [2-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]pyrrolidin-1-yl]-cyclohexylmethanone.
What is the SMILES notation for [2-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]pyrrolidin-1-yl]-cyclohexylmethanone?
The canonical SMILES for [2-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]pyrrolidin-1-yl]-cyclohexylmethanone is O=C(c1ccc(Cl)cc1)N1CCN(C(=O)C2CCCN2C(=O)C2CCCCC2)CC1.
What is the InChIKey of [2-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]pyrrolidin-1-yl]-cyclohexylmethanone?
The InChIKey is VYSQWCXUKNPQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O3/c24-19-10-8-18(9-11-19)21(28)25-13-15-26(16-14-25)23(30)20-7-4-12-27(20)22(29)17-5-2-1-3-6-17/h8-11,17,20H,1-7,12-16H2.
What are the key properties of [2-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]pyrrolidin-1-yl]-cyclohexylmethanone?
[2-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]pyrrolidin-1-yl]-cyclohexylmethanone has a molecular weight of 431.96 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]pyrrolidin-1-yl]-cyclohexylmethanone is sourced from PubChem (CID 55730027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).