N-[(4-bromophenyl)methyl]-3-ethyl-N-methylpiperidine-3-carboxamide

C16H23BrN2O — CID 63130855

IUPACN-[(4-bromophenyl)methyl]-3-ethyl-N-methylpiperidine-3-carboxamide
SMILESCCC1(C(=O)N(C)Cc2ccc(Br)cc2)CCCNC1
InChIInChI=1S/C16H23BrN2O/c1-3-16(9-4-10-18-12-16)15(20)19(2)11-13-5-7-14(17)8-6-13/h5-8,18H,3-4,9-12H2,1-2H3
InChIKeyAFULLJZCIKQVMW-UHFFFAOYSA-N
MW339.28 g/mol
LogP3.19
Rot. Bonds4

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

N-[(4-bromophenyl)methyl]-3-ethyl-N-methylpiperidine-3-carboxamide (PubChem CID 63130855) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-3-ethyl-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-3-ethyl-N-methylpiperidine-3-carboxamide
PubChem CID63130855
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC NameN-[(4-bromophenyl)methyl]-3-ethyl-N-methylpiperidine-3-carboxamide
SMILESCCC1(C(=O)N(C)Cc2ccc(Br)cc2)CCCNC1
InChIInChI=1S/C16H23BrN2O/c1-3-16(9-4-10-18-12-16)15(20)19(2)11-13-5-7-14(17)8-6-13/h5-8,18H,3-4,9-12H2,1-2H3
InChIKeyAFULLJZCIKQVMW-UHFFFAOYSA-N
XLogP3.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-bromophenyl)methyl]-3-ethyl-N-methylpiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-bromophenyl)methyl]-N-methyl-3-propylpiperidine-3-carboxamide
CID 63130856
N-[(4-chlorophenyl)methyl]-3-ethyl-N-methylpyrrolidine-3-carboxamide
CID 63140326
3-ethyl-N-methyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 63130194
3-ethyl-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 63131997
N-[(4-bromophenyl)methyl]-N,1-dimethylcyclohexane-1-carboxamide
CID 104985630
3-ethyl-N-(2-hydroxyethyl)-N-methylpiperidine-3-carboxamide
CID 63131049
N-[(4-ethylphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride
CID 119943770
3-ethyl-N-[(3-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide
CID 55164556
N,3-diethyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 63131555
N-methyl-3-propyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 63130322
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-propylpiperidine-3-carboxamide
CID 63130099
N-(furan-2-ylmethyl)-N-methyl-3-propylpiperidine-3-carboxamide
CID 55165654

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-3-ethyl-N-methylpiperidine-3-carboxamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-3-ethyl-N-methylpiperidine-3-carboxamide (CID 63130855) is N-[(4-bromophenyl)methyl]-3-ethyl-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-3-ethyl-N-methylpiperidine-3-carboxamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-3-ethyl-N-methylpiperidine-3-carboxamide is CCC1(C(=O)N(C)Cc2ccc(Br)cc2)CCCNC1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-3-ethyl-N-methylpiperidine-3-carboxamide?
The InChIKey is AFULLJZCIKQVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-3-16(9-4-10-18-12-16)15(20)19(2)11-13-5-7-14(17)8-6-13/h5-8,18H,3-4,9-12H2,1-2H3.
What are the key properties of N-[(4-bromophenyl)methyl]-3-ethyl-N-methylpiperidine-3-carboxamide?
N-[(4-bromophenyl)methyl]-3-ethyl-N-methylpiperidine-3-carboxamide has a molecular weight of 339.28 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-3-ethyl-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 63130855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).