N-[(4-bromophenyl)methyl]-N-methyl-3-propylpiperidine-3-carboxamide

C17H25BrN2O — CID 63130856

IUPACN-[(4-bromophenyl)methyl]-N-methyl-3-propylpiperidine-3-carboxamide
SMILESCCCC1(C(=O)N(C)Cc2ccc(Br)cc2)CCCNC1
InChIInChI=1S/C17H25BrN2O/c1-3-9-17(10-4-11-19-13-17)16(21)20(2)12-14-5-7-15(18)8-6-14/h5-8,19H,3-4,9-13H2,1-2H3
InChIKeySXHBZWGFZJCBJG-UHFFFAOYSA-N
MW353.30 g/mol
LogP3.58
Rot. Bonds5

About N-[(4-bromophenyl)methyl]-N-methyl-3-propylpiperidine-3-carboxamide

N-[(4-bromophenyl)methyl]-N-methyl-3-propylpiperidine-3-carboxamide (PubChem CID 63130856) has the molecular formula C17H25BrN2O and a molecular weight of 353.30 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-N-methyl-3-propylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-N-methyl-3-propylpiperidine-3-carboxamide
PubChem CID63130856
Molecular FormulaC17H25BrN2O
Molecular Weight353.30 g/mol
Exact Mass352.12
IUPAC NameN-[(4-bromophenyl)methyl]-N-methyl-3-propylpiperidine-3-carboxamide
SMILESCCCC1(C(=O)N(C)Cc2ccc(Br)cc2)CCCNC1
InChIInChI=1S/C17H25BrN2O/c1-3-9-17(10-4-11-19-13-17)16(21)20(2)12-14-5-7-15(18)8-6-14/h5-8,19H,3-4,9-13H2,1-2H3
InChIKeySXHBZWGFZJCBJG-UHFFFAOYSA-N
XLogP3.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromophenyl)methyl]-3-ethyl-N-methylpiperidine-3-carboxamide
CID 63130855
N-methyl-3-propyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 63130322
N-(furan-2-ylmethyl)-N-methyl-3-propylpiperidine-3-carboxamide
CID 55165654
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-propylpiperidine-3-carboxamide
CID 63130099
N-[(4-fluorophenyl)methyl]-N-methyl-4-propylpiperidine-4-carboxamide
CID 63128063
1-(4-bromophenyl)-N-methyl-N-[(3-propylpiperidin-3-yl)methyl]methanamine
CID 63534076
N-[(4-chlorophenyl)methyl]-3-ethyl-N-methylpyrrolidine-3-carboxamide
CID 63140326
N-[(4-bromophenyl)methyl]-N,1-dimethylcyclohexane-1-carboxamide
CID 104985630
N-[(4-ethylphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride
CID 119943770
N-[(2-hydroxyphenyl)methyl]-N-methyl-3-propylpyrrolidine-3-carboxamide
CID 63143991
N-methyl-N-propan-2-yl-3-propylpiperidine-3-carboxamide
CID 63132392
N-methoxy-N-methyl-3-propylpiperidine-3-carboxamide
CID 63135339

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-N-methyl-3-propylpiperidine-3-carboxamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-N-methyl-3-propylpiperidine-3-carboxamide (CID 63130856) is N-[(4-bromophenyl)methyl]-N-methyl-3-propylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-N-methyl-3-propylpiperidine-3-carboxamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-N-methyl-3-propylpiperidine-3-carboxamide is CCCC1(C(=O)N(C)Cc2ccc(Br)cc2)CCCNC1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-N-methyl-3-propylpiperidine-3-carboxamide?
The InChIKey is SXHBZWGFZJCBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O/c1-3-9-17(10-4-11-19-13-17)16(21)20(2)12-14-5-7-15(18)8-6-14/h5-8,19H,3-4,9-13H2,1-2H3.
What are the key properties of N-[(4-bromophenyl)methyl]-N-methyl-3-propylpiperidine-3-carboxamide?
N-[(4-bromophenyl)methyl]-N-methyl-3-propylpiperidine-3-carboxamide has a molecular weight of 353.30 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-N-methyl-3-propylpiperidine-3-carboxamide is sourced from PubChem (CID 63130856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).