1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]-6-methylpiperidine-3-carboxamide

C15H22BrN3O — CID 78935524

IUPAC1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1c1ccc([C@@H](C)N)cc1Br
InChIInChI=1S/C15H22BrN3O/c1-9-3-4-12(15(18)20)8-19(9)14-6-5-11(10(2)17)7-13(14)16/h5-7,9-10,12H,3-4,8,17H2,1-2H3,(H2,18,20)/t9?,10-,12?/m1/s1
InChIKeyUXFBXUZRGYNKML-SQLBVSGCSA-N
MW340.27 g/mol
LogP2.56
Rot. Bonds3

About 1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]-6-methylpiperidine-3-carboxamide

1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]-6-methylpiperidine-3-carboxamide (PubChem CID 78935524) has the molecular formula C15H22BrN3O and a molecular weight of 340.27 g/mol. Its IUPAC name is 1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]-6-methylpiperidine-3-carboxamide
PubChem CID78935524
Molecular FormulaC15H22BrN3O
Molecular Weight340.27 g/mol
Exact Mass339.09
IUPAC Name1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1c1ccc([C@@H](C)N)cc1Br
InChIInChI=1S/C15H22BrN3O/c1-9-3-4-12(15(18)20)8-19(9)14-6-5-11(10(2)17)7-13(14)16/h5-7,9-10,12H,3-4,8,17H2,1-2H3,(H2,18,20)/t9?,10-,12?/m1/s1
InChIKeyUXFBXUZRGYNKML-SQLBVSGCSA-N
XLogP2.56
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]-6-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

1-[4-[(1S)-1-aminoethyl]-2-bromophenyl]-6-methylpiperidine-3-carboxamide
CID 63368743
1-[2-bromo-4-[1-(methylamino)ethyl]phenyl]-6-methylpiperidine-3-carboxamide
CID 62911163
1-[2-(1-aminoethyl)-4-bromophenyl]-6-methylpiperidine-3-carboxamide
CID 82968353
1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]piperidine-3-carboxamide
CID 78936049
1-[2-chloro-4-[(1R)-1-hydroxyethyl]phenyl]-6-methylpiperidine-3-carboxamide
CID 63372713
1-[5-bromo-2-(1-hydroxyethyl)phenyl]-6-methylpiperidine-3-carboxamide
CID 82970203
1-(4-amino-2-fluorophenyl)-6-methylpiperidine-3-carboxamide
CID 54989494
1-(2-amino-5-bromophenyl)-6-methylpiperidine-3-carboxamide
CID 65343443
1-[2-bromo-4-[(1R)-1-hydroxyethyl]phenyl]pyrrolidine-3-carboxamide
CID 114082228
1-[3-bromo-4-(2,4-dimethylpiperazin-1-yl)phenyl]ethanamine
CID 114087057
1-(2-amino-4-iodophenyl)-6-methylpiperidine-3-carboxamide
CID 66064522
(1S)-1-[3-bromo-4-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethanamine
CID 104937425

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]-6-methylpiperidine-3-carboxamide (CID 78935524) is 1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]-6-methylpiperidine-3-carboxamide is CC1CCC(C(N)=O)CN1c1ccc([C@@H](C)N)cc1Br.
What is the InChIKey of 1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]-6-methylpiperidine-3-carboxamide?
The InChIKey is UXFBXUZRGYNKML-SQLBVSGCSA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-9-3-4-12(15(18)20)8-19(9)14-6-5-11(10(2)17)7-13(14)16/h5-7,9-10,12H,3-4,8,17H2,1-2H3,(H2,18,20)/t9?,10-,12?/m1/s1.
What are the key properties of 1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]-6-methylpiperidine-3-carboxamide?
1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]-6-methylpiperidine-3-carboxamide has a molecular weight of 340.27 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 78935524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).