N-(3-bromophenyl)-N-propan-2-ylpiperidine-4-carboxamide

C15H21BrN2O — CID 71143845

IUPACN-(3-bromophenyl)-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)N(C(=O)C1CCNCC1)c1cccc(Br)c1
InChIInChI=1S/C15H21BrN2O/c1-11(2)18(14-5-3-4-13(16)10-14)15(19)12-6-8-17-9-7-12/h3-5,10-12,17H,6-9H2,1-2H3
InChIKeyIWRDFCOIIXCXCP-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.19
Rot. Bonds3

About N-(3-bromophenyl)-N-propan-2-ylpiperidine-4-carboxamide

N-(3-bromophenyl)-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 71143845) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is N-(3-bromophenyl)-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID71143845
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC NameN-(3-bromophenyl)-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)N(C(=O)C1CCNCC1)c1cccc(Br)c1
InChIInChI=1S/C15H21BrN2O/c1-11(2)18(14-5-3-4-13(16)10-14)15(19)12-6-8-17-9-7-12/h3-5,10-12,17H,6-9H2,1-2H3
InChIKeyIWRDFCOIIXCXCP-UHFFFAOYSA-N
XLogP3.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-2-[methyl(piperidin-4-yl)amino]ethanone
CID 62031890
N-(3-bromophenyl)-N-methyl-4-(methylamino)cyclohexane-1-carboxamide
CID 115150649
N,N-di(propan-2-yl)piperidine-4-carboxamide;hydrochloride
CID 47002845
N-(3-bromophenyl)-N-methylmorpholine-2-carboxamide
CID 115177440
N-(3-bromophenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607437
2-(3-bromophenoxy)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119389162
N-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119337319
N-(3-bromophenyl)-N-methyl-2-piperidin-3-ylacetamide
CID 115160586
N-methyl-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 119752994
2-[methyl(pyrrolidin-3-yl)amino]-N-phenyl-N-propan-2-ylacetamide
CID 63298363
N-(3-bromophenyl)-2-hydroxy-N-methylpropanamide
CID 115140581
N-[2-(dimethylamino)ethyl]-N-phenylpiperidine-4-carboxamide
CID 119867193

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-(3-bromophenyl)-N-propan-2-ylpiperidine-4-carboxamide (CID 71143845) is N-(3-bromophenyl)-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-N-propan-2-ylpiperidine-4-carboxamide is CC(C)N(C(=O)C1CCNCC1)c1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is IWRDFCOIIXCXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-11(2)18(14-5-3-4-13(16)10-14)15(19)12-6-8-17-9-7-12/h3-5,10-12,17H,6-9H2,1-2H3.
What are the key properties of N-(3-bromophenyl)-N-propan-2-ylpiperidine-4-carboxamide?
N-(3-bromophenyl)-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 325.25 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 71143845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).