1-(3,4-dichlorobenzoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide

C20H27Cl2N3O2 — CID 56510249

IUPAC1-(3,4-dichlorobenzoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
SMILESCN(CCN1CCCC1)C(=O)C1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C20H27Cl2N3O2/c1-23(11-12-24-8-2-3-9-24)19(26)16-5-4-10-25(14-16)20(27)15-6-7-17(21)18(22)13-15/h6-7,13,16H,2-5,8-12,14H2,1H3
InChIKeyOYOGWQBCQSOZPB-UHFFFAOYSA-N
MW412.36 g/mol
LogP3.40
Rot. Bonds5

About 1-(3,4-dichlorobenzoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide

1-(3,4-dichlorobenzoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide (PubChem CID 56510249) has the molecular formula C20H27Cl2N3O2 and a molecular weight of 412.36 g/mol. Its IUPAC name is 1-(3,4-dichlorobenzoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,4-dichlorobenzoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
PubChem CID56510249
Molecular FormulaC20H27Cl2N3O2
Molecular Weight412.36 g/mol
Exact Mass411.15
IUPAC Name1-(3,4-dichlorobenzoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
SMILESCN(CCN1CCCC1)C(=O)C1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C20H27Cl2N3O2/c1-23(11-12-24-8-2-3-9-24)19(26)16-5-4-10-25(14-16)20(27)15-6-7-17(21)18(22)13-15/h6-7,13,16H,2-5,8-12,14H2,1H3
InChIKeyOYOGWQBCQSOZPB-UHFFFAOYSA-N
XLogP3.40
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.36
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(azepan-1-yl)ethyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide
CID 55632873
[1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 60589629
[1-[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55632984
N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide
CID 46410305
1-(4-chlorobenzoyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 24679712
1-(3,4-dichlorobenzoyl)-N-[2-(ethylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 55633427
(3,4-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43390830
1-(3,4-dichlorobenzoyl)-N-(2-hydroxypropyl)piperidine-3-carboxamide
CID 78862407
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide
CID 55632633
1-(3,4-dichlorophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone
CID 63207252
1-(3,4-dichlorobenzoyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 55633629
(2S)-2-[[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]amino]propanoic acid
CID 119237802

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorobenzoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(3,4-dichlorobenzoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide (CID 56510249) is 1-(3,4-dichlorobenzoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(3,4-dichlorobenzoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(3,4-dichlorobenzoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide is CN(CCN1CCCC1)C(=O)C1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 1-(3,4-dichlorobenzoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide?
The InChIKey is OYOGWQBCQSOZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27Cl2N3O2/c1-23(11-12-24-8-2-3-9-24)19(26)16-5-4-10-25(14-16)20(27)15-6-7-17(21)18(22)13-15/h6-7,13,16H,2-5,8-12,14H2,1H3.
What are the key properties of 1-(3,4-dichlorobenzoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide?
1-(3,4-dichlorobenzoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide has a molecular weight of 412.36 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorobenzoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 56510249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).