1-(3,4-dichlorobenzoyl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide

C24H25Cl2N3O4 — CID 55633132

IUPAC1-(3,4-dichlorobenzoyl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
SMILESCOc1cc(NC(=O)C2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)ccc1N1CCCC1=O
InChIInChI=1S/C24H25Cl2N3O4/c1-33-21-13-17(7-9-20(21)29-11-3-5-22(29)30)27-23(31)16-4-2-10-28(14-16)24(32)15-6-8-18(25)19(26)12-15/h6-9,12-13,16H,2-5,10-11,14H2,1H3,(H,27,31)
InChIKeyUSMYVLGSBBLRKY-UHFFFAOYSA-N
MW490.39 g/mol
LogP4.62
Rot. Bonds5

About 1-(3,4-dichlorobenzoyl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide

1-(3,4-dichlorobenzoyl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide (PubChem CID 55633132) has the molecular formula C24H25Cl2N3O4 and a molecular weight of 490.39 g/mol. Its IUPAC name is 1-(3,4-dichlorobenzoyl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,4-dichlorobenzoyl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
PubChem CID55633132
Molecular FormulaC24H25Cl2N3O4
Molecular Weight490.39 g/mol
Exact Mass489.12
IUPAC Name1-(3,4-dichlorobenzoyl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
SMILESCOc1cc(NC(=O)C2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)ccc1N1CCCC1=O
InChIInChI=1S/C24H25Cl2N3O4/c1-33-21-13-17(7-9-20(21)29-11-3-5-22(29)30)27-23(31)16-4-2-10-28(14-16)24(32)15-6-8-18(25)19(26)12-15/h6-9,12-13,16H,2-5,10-11,14H2,1H3,(H,27,31)
InChIKeyUSMYVLGSBBLRKY-UHFFFAOYSA-N
XLogP4.62
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.39
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dichlorobenzoyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
CID 55630854
3,4-dichloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7687099
(3R)-1-(3,4-dichlorobenzoyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-3-carboxamide
CID 52533295
ethyl (3R)-1-[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-3-carboxylate
CID 29206229
1-[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 55633097
2-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686645
9-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120984649
tert-butyl 3-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 42932758
N-(3,4-dichlorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 46568104
2-[[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119180002
1-(4-chlorobenzoyl)-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 4876797
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 18140044

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorobenzoyl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-(3,4-dichlorobenzoyl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide (CID 55633132) is 1-(3,4-dichlorobenzoyl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(3,4-dichlorobenzoyl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(3,4-dichlorobenzoyl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide is COc1cc(NC(=O)C2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)ccc1N1CCCC1=O.
What is the InChIKey of 1-(3,4-dichlorobenzoyl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide?
The InChIKey is USMYVLGSBBLRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2N3O4/c1-33-21-13-17(7-9-20(21)29-11-3-5-22(29)30)27-23(31)16-4-2-10-28(14-16)24(32)15-6-8-18(25)19(26)12-15/h6-9,12-13,16H,2-5,10-11,14H2,1H3,(H,27,31).
What are the key properties of 1-(3,4-dichlorobenzoyl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide?
1-(3,4-dichlorobenzoyl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide has a molecular weight of 490.39 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorobenzoyl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 55633132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).