N-(4-acetamidophenyl)-1-(4-bromobenzoyl)piperidine-4-carboxamide

C21H22BrN3O3 — CID 35049074

IUPACN-(4-acetamidophenyl)-1-(4-bromobenzoyl)piperidine-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1
InChIInChI=1S/C21H22BrN3O3/c1-14(26)23-18-6-8-19(9-7-18)24-20(27)15-10-12-25(13-11-15)21(28)16-2-4-17(22)5-3-16/h2-9,15H,10-13H2,1H3,(H,23,26)(H,24,27)
InChIKeyDPPRKRCIXRSGBW-UHFFFAOYSA-N
MW444.33 g/mol
LogP3.90
Rot. Bonds4

About N-(4-acetamidophenyl)-1-(4-bromobenzoyl)piperidine-4-carboxamide

N-(4-acetamidophenyl)-1-(4-bromobenzoyl)piperidine-4-carboxamide (PubChem CID 35049074) has the molecular formula C21H22BrN3O3 and a molecular weight of 444.33 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-1-(4-bromobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-1-(4-bromobenzoyl)piperidine-4-carboxamide
PubChem CID35049074
Molecular FormulaC21H22BrN3O3
Molecular Weight444.33 g/mol
Exact Mass443.08
IUPAC NameN-(4-acetamidophenyl)-1-(4-bromobenzoyl)piperidine-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1
InChIInChI=1S/C21H22BrN3O3/c1-14(26)23-18-6-8-19(9-7-18)24-20(27)15-10-12-25(13-11-15)21(28)16-2-4-17(22)5-3-16/h2-9,15H,10-13H2,1H3,(H,23,26)(H,24,27)
InChIKeyDPPRKRCIXRSGBW-UHFFFAOYSA-N
XLogP3.90
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.33
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[4-[[1-(4-bromobenzoyl)piperidine-4-carbonyl]amino]phenyl]carbamate
CID 55804770
1-(4-acetamidobenzoyl)-N-methylpiperidine-4-carboxamide
CID 20973013
1-(4-bromobenzoyl)-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-4-carboxamide
CID 46475174
N-(4-acetylphenyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 113007858
1-(4-bromobenzoyl)-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide
CID 26701571
4-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119177742
1-(4-bromobenzoyl)-N-(3-chloro-4-methoxyphenyl)piperidine-4-carboxamide
CID 2192257
1-[4-(cyclopropanecarbonylamino)benzoyl]-N-ethylpiperidine-4-carboxamide
CID 32994989
1-(4-bromobenzoyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)piperidine-4-carboxamide
CID 26701574
N-(4-bromophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 39355313
N-[4-(4-acetyl-1,4-diazepane-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 134061665
1-(4-bromobenzoyl)-N',N'-dimethylpiperidine-4-carbohydrazide
CID 9180450

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-1-(4-bromobenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-1-(4-bromobenzoyl)piperidine-4-carboxamide (CID 35049074) is N-(4-acetamidophenyl)-1-(4-bromobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-1-(4-bromobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-1-(4-bromobenzoyl)piperidine-4-carboxamide is CC(=O)Nc1ccc(NC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-1-(4-bromobenzoyl)piperidine-4-carboxamide?
The InChIKey is DPPRKRCIXRSGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22BrN3O3/c1-14(26)23-18-6-8-19(9-7-18)24-20(27)15-10-12-25(13-11-15)21(28)16-2-4-17(22)5-3-16/h2-9,15H,10-13H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-(4-acetamidophenyl)-1-(4-bromobenzoyl)piperidine-4-carboxamide?
N-(4-acetamidophenyl)-1-(4-bromobenzoyl)piperidine-4-carboxamide has a molecular weight of 444.33 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-1-(4-bromobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 35049074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).