1-[5-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2-chlorophenyl]pyrrolidin-2-one

C23H30ClN3O3 — CID 17474999

IUPAC1-[5-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2-chlorophenyl]pyrrolidin-2-one
SMILESO=C(c1ccc(Cl)c(N2CCCC2=O)c1)N1CCC(C(=O)N2CCCCCC2)CC1
InChIInChI=1S/C23H30ClN3O3/c24-19-8-7-18(16-20(19)27-13-5-6-21(27)28)23(30)26-14-9-17(10-15-26)22(29)25-11-3-1-2-4-12-25/h7-8,16-17H,1-6,9-15H2
InChIKeyCPFJPEPWSQPBBJ-UHFFFAOYSA-N
MW431.96 g/mol
LogP3.72
Rot. Bonds3

About 1-[5-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2-chlorophenyl]pyrrolidin-2-one

1-[5-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2-chlorophenyl]pyrrolidin-2-one (PubChem CID 17474999) has the molecular formula C23H30ClN3O3 and a molecular weight of 431.96 g/mol. Its IUPAC name is 1-[5-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2-chlorophenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[5-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2-chlorophenyl]pyrrolidin-2-one
PubChem CID17474999
Molecular FormulaC23H30ClN3O3
Molecular Weight431.96 g/mol
Exact Mass431.20
IUPAC Name1-[5-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2-chlorophenyl]pyrrolidin-2-one
SMILESO=C(c1ccc(Cl)c(N2CCCC2=O)c1)N1CCC(C(=O)N2CCCCCC2)CC1
InChIInChI=1S/C23H30ClN3O3/c24-19-8-7-18(16-20(19)27-13-5-6-21(27)28)23(30)26-14-9-17(10-15-26)22(29)25-11-3-1-2-4-12-25/h7-8,16-17H,1-6,9-15H2
InChIKeyCPFJPEPWSQPBBJ-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-chloro-5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 41307910
ethyl (3R)-1-[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-3-carboxylate
CID 29206229
4-chloro-N'-(cyclohexanecarbonyl)-3-(2-oxopyrrolidin-1-yl)benzohydrazide
CID 9327303
[1-(4-chloro-3-piperidin-1-ylsulfonylbenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55469270
[1-[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55632984
cyclohexyl-[4-(3,4-dichlorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 108543908
1-[2-chloro-5-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 38454037
1-[4-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 46564409
[1-(3-chlorobenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 113003036
1-[2-chloro-5-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]pyrrolidin-2-one
CID 9226697
cyclopropyl-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110806430
1-(3,4-dichlorobenzoyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
CID 55630854

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2-chlorophenyl]pyrrolidin-2-one?
The IUPAC name of 1-[5-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2-chlorophenyl]pyrrolidin-2-one (CID 17474999) is 1-[5-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2-chlorophenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[5-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2-chlorophenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[5-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2-chlorophenyl]pyrrolidin-2-one is O=C(c1ccc(Cl)c(N2CCCC2=O)c1)N1CCC(C(=O)N2CCCCCC2)CC1.
What is the InChIKey of 1-[5-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2-chlorophenyl]pyrrolidin-2-one?
The InChIKey is CPFJPEPWSQPBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O3/c24-19-8-7-18(16-20(19)27-13-5-6-21(27)28)23(30)26-14-9-17(10-15-26)22(29)25-11-3-1-2-4-12-25/h7-8,16-17H,1-6,9-15H2.
What are the key properties of 1-[5-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2-chlorophenyl]pyrrolidin-2-one?
1-[5-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2-chlorophenyl]pyrrolidin-2-one has a molecular weight of 431.96 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2-chlorophenyl]pyrrolidin-2-one is sourced from PubChem (CID 17474999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).