N-(3-bromophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide

C16H21BrN2O2 — CID 31693337

IUPACN-(3-bromophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESCC(C)C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1
InChIInChI=1S/C16H21BrN2O2/c1-11(2)16(21)19-8-6-12(7-9-19)15(20)18-14-5-3-4-13(17)10-14/h3-5,10-12H,6-9H2,1-2H3,(H,18,20)
InChIKeyCSQNSJRLIYDFIL-UHFFFAOYSA-N
MW353.26 g/mol
LogP3.28
Rot. Bonds3

About N-(3-bromophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide

N-(3-bromophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide (PubChem CID 31693337) has the molecular formula C16H21BrN2O2 and a molecular weight of 353.26 g/mol. Its IUPAC name is N-(3-bromophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
PubChem CID31693337
Molecular FormulaC16H21BrN2O2
Molecular Weight353.26 g/mol
Exact Mass352.08
IUPAC NameN-(3-bromophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESCC(C)C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1
InChIInChI=1S/C16H21BrN2O2/c1-11(2)16(21)19-8-6-12(7-9-19)15(20)18-14-5-3-4-13(17)10-14/h3-5,10-12H,6-9H2,1-2H3,(H,18,20)
InChIKeyCSQNSJRLIYDFIL-UHFFFAOYSA-N
XLogP3.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(dimethylcarbamoyl)phenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 33249573
N-(3-bromophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224314
3-[(3-bromophenyl)carbamoyl]pyrrolidine-1-carboxylic acid
CID 126697825
N-(4-acetamidophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31669191
N-(3,4-difluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31786532
N-(3-bromophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 18086174
N-(3,4-dimethoxyphenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 32676956
N-(3-chloro-4-fluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31789168
N-(3-acetamido-4-chlorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 86845064
1-[(2R)-2-aminopropanoyl]-N-(3-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119314077
N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31816573
1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 3222755

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-bromophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide (CID 31693337) is N-(3-bromophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide is CC(C)C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1.
What is the InChIKey of N-(3-bromophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The InChIKey is CSQNSJRLIYDFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O2/c1-11(2)16(21)19-8-6-12(7-9-19)15(20)18-14-5-3-4-13(17)10-14/h3-5,10-12H,6-9H2,1-2H3,(H,18,20).
What are the key properties of N-(3-bromophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide?
N-(3-bromophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide has a molecular weight of 353.26 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 31693337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).