2-bromo-6-[piperidin-4-ylmethyl(propyl)amino]benzamide

C16H24BrN3O — CID 114884942

IUPAC2-bromo-6-[piperidin-4-ylmethyl(propyl)amino]benzamide
SMILESCCCN(CC1CCNCC1)c1cccc(Br)c1C(N)=O
InChIInChI=1S/C16H24BrN3O/c1-2-10-20(11-12-6-8-19-9-7-12)14-5-3-4-13(17)15(14)16(18)21/h3-5,12,19H,2,6-11H2,1H3,(H2,18,21)
InChIKeyXZTRIEAKDYMEGF-UHFFFAOYSA-N
MW354.29 g/mol
LogP2.76
Rot. Bonds6

About 2-bromo-6-[piperidin-4-ylmethyl(propyl)amino]benzamide

2-bromo-6-[piperidin-4-ylmethyl(propyl)amino]benzamide (PubChem CID 114884942) has the molecular formula C16H24BrN3O and a molecular weight of 354.29 g/mol. Its IUPAC name is 2-bromo-6-[piperidin-4-ylmethyl(propyl)amino]benzamide.

Molecular Properties

Compound Name2-bromo-6-[piperidin-4-ylmethyl(propyl)amino]benzamide
PubChem CID114884942
Molecular FormulaC16H24BrN3O
Molecular Weight354.29 g/mol
Exact Mass353.11
IUPAC Name2-bromo-6-[piperidin-4-ylmethyl(propyl)amino]benzamide
SMILESCCCN(CC1CCNCC1)c1cccc(Br)c1C(N)=O
InChIInChI=1S/C16H24BrN3O/c1-2-10-20(11-12-6-8-19-9-7-12)14-5-3-4-13(17)15(14)16(18)21/h3-5,12,19H,2,6-11H2,1H3,(H2,18,21)
InChIKeyXZTRIEAKDYMEGF-UHFFFAOYSA-N
XLogP2.76
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-bromo-6-[piperidin-4-ylmethyl(propyl)amino]benzamide 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

2-bromo-6-[propyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106619692
2-bromo-6-[cyclopropylmethyl(propyl)amino]benzenecarbothioamide
CID 114882090
2-(3-bromo-2-carbamoyl-N-propylanilino)acetic acid
CID 114880081
2-amino-3-[cyclopropylmethyl(propyl)amino]benzamide
CID 113332696
2-chloro-6-[piperidin-4-ylmethyl(propan-2-yl)amino]benzamide
CID 79703789
4-bromo-2-[ethyl(piperidin-4-ylmethyl)amino]benzamide
CID 114905646
2-bromo-6-fluoro-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 114560252
2,6-dichloro-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79702520
5-bromo-N-(piperidin-4-ylmethyl)-N-propylpyrimidin-2-amine
CID 79719331
3-amino-4-[cyclopropylmethyl(propyl)amino]benzamide
CID 43588001
2-bromo-6-[piperidin-3-ylmethyl(propyl)amino]benzonitrile
CID 106644108
4-[ethyl(piperidin-4-ylmethyl)amino]-2,6-dimethylpyridine-3-carboxamide
CID 81035524

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[piperidin-4-ylmethyl(propyl)amino]benzamide?
The IUPAC name of 2-bromo-6-[piperidin-4-ylmethyl(propyl)amino]benzamide (CID 114884942) is 2-bromo-6-[piperidin-4-ylmethyl(propyl)amino]benzamide.
What is the SMILES notation for 2-bromo-6-[piperidin-4-ylmethyl(propyl)amino]benzamide?
The canonical SMILES for 2-bromo-6-[piperidin-4-ylmethyl(propyl)amino]benzamide is CCCN(CC1CCNCC1)c1cccc(Br)c1C(N)=O.
What is the InChIKey of 2-bromo-6-[piperidin-4-ylmethyl(propyl)amino]benzamide?
The InChIKey is XZTRIEAKDYMEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O/c1-2-10-20(11-12-6-8-19-9-7-12)14-5-3-4-13(17)15(14)16(18)21/h3-5,12,19H,2,6-11H2,1H3,(H2,18,21).
What are the key properties of 2-bromo-6-[piperidin-4-ylmethyl(propyl)amino]benzamide?
2-bromo-6-[piperidin-4-ylmethyl(propyl)amino]benzamide has a molecular weight of 354.29 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[piperidin-4-ylmethyl(propyl)amino]benzamide is sourced from PubChem (CID 114884942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).