1-(4-bromobenzoyl)-N-[3-chloro-2-(dimethylamino)phenyl]piperidine-4-carboxamide

C21H23BrClN3O2 — CID 55762993

IUPAC1-(4-bromobenzoyl)-N-[3-chloro-2-(dimethylamino)phenyl]piperidine-4-carboxamide
SMILESCN(C)c1c(Cl)cccc1NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C21H23BrClN3O2/c1-25(2)19-17(23)4-3-5-18(19)24-20(27)14-10-12-26(13-11-14)21(28)15-6-8-16(22)9-7-15/h3-9,14H,10-13H2,1-2H3,(H,24,27)
InChIKeyKJRNWCJGRFMYOW-UHFFFAOYSA-N
MW464.79 g/mol
LogP4.66
Rot. Bonds4

About 1-(4-bromobenzoyl)-N-[3-chloro-2-(dimethylamino)phenyl]piperidine-4-carboxamide

1-(4-bromobenzoyl)-N-[3-chloro-2-(dimethylamino)phenyl]piperidine-4-carboxamide (PubChem CID 55762993) has the molecular formula C21H23BrClN3O2 and a molecular weight of 464.79 g/mol. Its IUPAC name is 1-(4-bromobenzoyl)-N-[3-chloro-2-(dimethylamino)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromobenzoyl)-N-[3-chloro-2-(dimethylamino)phenyl]piperidine-4-carboxamide
PubChem CID55762993
Molecular FormulaC21H23BrClN3O2
Molecular Weight464.79 g/mol
Exact Mass463.07
IUPAC Name1-(4-bromobenzoyl)-N-[3-chloro-2-(dimethylamino)phenyl]piperidine-4-carboxamide
SMILESCN(C)c1c(Cl)cccc1NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C21H23BrClN3O2/c1-25(2)19-17(23)4-3-5-18(19)24-20(27)14-10-12-26(13-11-14)21(28)15-6-8-16(22)9-7-15/h3-9,14H,10-13H2,1-2H3,(H,24,27)
InChIKeyKJRNWCJGRFMYOW-UHFFFAOYSA-N
XLogP4.66
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.79
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-chloro-2-(dimethylamino)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 55700862
N-[3-chloro-2-(dimethylamino)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 46485417
1-(4-bromobenzoyl)-N',N'-dimethylpiperidine-4-carbohydrazide
CID 9180450
N-(2,3-dichlorophenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 1327552
N-(4-bromo-2-methylphenyl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide
CID 17119229
N-(4-acetamidophenyl)-1-(4-bromobenzoyl)piperidine-4-carboxamide
CID 35049074
1-(4-bromobenzoyl)-N-(2-cyclopentylsulfanylphenyl)piperidine-4-carboxamide
CID 32559647
1-(4-bromobenzoyl)-N-(3-chloro-4-methoxyphenyl)piperidine-4-carboxamide
CID 2192257
methyl N-[4-[[1-(4-bromobenzoyl)piperidine-4-carbonyl]amino]phenyl]carbamate
CID 55804770
N-(2-bromophenyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 1327363
1-(4-chlorobenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 2295609
1-(4-bromobenzoyl)-N-(4-chloro-3-cyanophenyl)piperidine-4-carboxamide
CID 55480232

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromobenzoyl)-N-[3-chloro-2-(dimethylamino)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-bromobenzoyl)-N-[3-chloro-2-(dimethylamino)phenyl]piperidine-4-carboxamide (CID 55762993) is 1-(4-bromobenzoyl)-N-[3-chloro-2-(dimethylamino)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-bromobenzoyl)-N-[3-chloro-2-(dimethylamino)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-bromobenzoyl)-N-[3-chloro-2-(dimethylamino)phenyl]piperidine-4-carboxamide is CN(C)c1c(Cl)cccc1NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-(4-bromobenzoyl)-N-[3-chloro-2-(dimethylamino)phenyl]piperidine-4-carboxamide?
The InChIKey is KJRNWCJGRFMYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrClN3O2/c1-25(2)19-17(23)4-3-5-18(19)24-20(27)14-10-12-26(13-11-14)21(28)15-6-8-16(22)9-7-15/h3-9,14H,10-13H2,1-2H3,(H,24,27).
What are the key properties of 1-(4-bromobenzoyl)-N-[3-chloro-2-(dimethylamino)phenyl]piperidine-4-carboxamide?
1-(4-bromobenzoyl)-N-[3-chloro-2-(dimethylamino)phenyl]piperidine-4-carboxamide has a molecular weight of 464.79 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromobenzoyl)-N-[3-chloro-2-(dimethylamino)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 55762993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).