1-[2-chloro-5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one

C24H25ClN2O4 — CID 41307910

IUPAC1-[2-chloro-5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3ccc(Cl)c(N4CCCC4=O)c3)CC2)cc1
InChIInChI=1S/C24H25ClN2O4/c1-31-19-7-4-16(5-8-19)23(29)17-10-13-26(14-11-17)24(30)18-6-9-20(25)21(15-18)27-12-2-3-22(27)28/h4-9,15,17H,2-3,10-14H2,1H3
InChIKeyDGTSJJVYQNJUQN-UHFFFAOYSA-N
MW440.93 g/mol
LogP4.21
Rot. Bonds5

About 1-[2-chloro-5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one

1-[2-chloro-5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one (PubChem CID 41307910) has the molecular formula C24H25ClN2O4 and a molecular weight of 440.93 g/mol. Its IUPAC name is 1-[2-chloro-5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-chloro-5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one
PubChem CID41307910
Molecular FormulaC24H25ClN2O4
Molecular Weight440.93 g/mol
Exact Mass440.15
IUPAC Name1-[2-chloro-5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3ccc(Cl)c(N4CCCC4=O)c3)CC2)cc1
InChIInChI=1S/C24H25ClN2O4/c1-31-19-7-4-16(5-8-19)23(29)17-10-13-26(14-11-17)24(30)18-6-9-20(25)21(15-18)27-12-2-3-22(27)28/h4-9,15,17H,2-3,10-14H2,1H3
InChIKeyDGTSJJVYQNJUQN-UHFFFAOYSA-N
XLogP4.21
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.93
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2-chlorophenyl]pyrrolidin-2-one
CID 17474999
4-chloro-N-(4-methoxyphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9042234
1-[2-chloro-5-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 41111642
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473798
4-chloro-N-[4-(4-methoxyanilino)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 18292701
ethyl (3R)-1-[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-3-carboxylate
CID 29206229
1-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 33365745
1-[2-chloro-5-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 38454037
1-[3-(4-benzoylpiperidine-1-carbonyl)phenyl]pyrrolidin-2-one
CID 18145970
4-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9482810
4-chloro-N'-(cyclohexanecarbonyl)-3-(2-oxopyrrolidin-1-yl)benzohydrazide
CID 9327303
N-[3-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]phenyl]acetamide
CID 25474514

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-chloro-5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one (CID 41307910) is 1-[2-chloro-5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-chloro-5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-chloro-5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one is COc1ccc(C(=O)C2CCN(C(=O)c3ccc(Cl)c(N4CCCC4=O)c3)CC2)cc1.
What is the InChIKey of 1-[2-chloro-5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one?
The InChIKey is DGTSJJVYQNJUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O4/c1-31-19-7-4-16(5-8-19)23(29)17-10-13-26(14-11-17)24(30)18-6-9-20(25)21(15-18)27-12-2-3-22(27)28/h4-9,15,17H,2-3,10-14H2,1H3.
What are the key properties of 1-[2-chloro-5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one?
1-[2-chloro-5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one has a molecular weight of 440.93 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 41307910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).