1-(2-bromo-5-chlorobenzoyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide

C17H22BrClN2O2 — CID 78864334

IUPAC1-(2-bromo-5-chlorobenzoyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)N(C)C(=O)C1CCN(C(=O)c2cc(Cl)ccc2Br)CC1
InChIInChI=1S/C17H22BrClN2O2/c1-11(2)20(3)16(22)12-6-8-21(9-7-12)17(23)14-10-13(19)4-5-15(14)18/h4-5,10-12H,6-9H2,1-3H3
InChIKeyZVYWUYQUWQYDMN-UHFFFAOYSA-N
MW401.73 g/mol
LogP3.82
Rot. Bonds3

About 1-(2-bromo-5-chlorobenzoyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide

1-(2-bromo-5-chlorobenzoyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 78864334) has the molecular formula C17H22BrClN2O2 and a molecular weight of 401.73 g/mol. Its IUPAC name is 1-(2-bromo-5-chlorobenzoyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-bromo-5-chlorobenzoyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID78864334
Molecular FormulaC17H22BrClN2O2
Molecular Weight401.73 g/mol
Exact Mass400.06
IUPAC Name1-(2-bromo-5-chlorobenzoyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)N(C)C(=O)C1CCN(C(=O)c2cc(Cl)ccc2Br)CC1
InChIInChI=1S/C17H22BrClN2O2/c1-11(2)20(3)16(22)12-6-8-21(9-7-12)17(23)14-10-13(19)4-5-15(14)18/h4-5,10-12H,6-9H2,1-3H3
InChIKeyZVYWUYQUWQYDMN-UHFFFAOYSA-N
XLogP3.82
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.73
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-amino-5-chlorobenzoyl)-N,N-dimethylpiperidine-4-carboxamide
CID 61106212
ethyl 1-(2-bromo-5-chlorobenzoyl)piperidine-4-carboxylate
CID 78849118
(3R)-1-(2-bromo-5-chlorobenzoyl)pyrrolidine-3-carboxylic acid
CID 124677279
(2-bromo-5-chlorophenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110022948
1-(5-chloro-2-methoxybenzoyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylpiperidine-4-carboxamide
CID 55623180
(2-bromo-5-chlorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119546124
1-(5-chloro-2-methoxybenzoyl)-N-cyclopropyl-N-methylpiperidine-4-carboxamide
CID 55627034
(2-bromo-5-chlorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 113221419
1-(2-bromo-4-chlorobenzoyl)-N'-hydroxypiperidine-4-carboximidamide
CID 107992513
(2-bromo-5-chlorophenyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 113230336
1-(4-cyclobutylbenzoyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 91652591
N-methyl-N-propan-2-yl-1-(pyridine-2-carbonyl)piperidine-4-carboxamide
CID 86983172

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-chlorobenzoyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(2-bromo-5-chlorobenzoyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide (CID 78864334) is 1-(2-bromo-5-chlorobenzoyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2-bromo-5-chlorobenzoyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2-bromo-5-chlorobenzoyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide is CC(C)N(C)C(=O)C1CCN(C(=O)c2cc(Cl)ccc2Br)CC1.
What is the InChIKey of 1-(2-bromo-5-chlorobenzoyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is ZVYWUYQUWQYDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrClN2O2/c1-11(2)20(3)16(22)12-6-8-21(9-7-12)17(23)14-10-13(19)4-5-15(14)18/h4-5,10-12H,6-9H2,1-3H3.
What are the key properties of 1-(2-bromo-5-chlorobenzoyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide?
1-(2-bromo-5-chlorobenzoyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 401.73 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-chlorobenzoyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 78864334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).