2-chloro-6-[3-(methylamino)piperidin-1-yl]benzamide

C13H18ClN3O — CID 55084464

IUPAC2-chloro-6-[3-(methylamino)piperidin-1-yl]benzamide
SMILESCNC1CCCN(c2cccc(Cl)c2C(N)=O)C1
InChIInChI=1S/C13H18ClN3O/c1-16-9-4-3-7-17(8-9)11-6-2-5-10(14)12(11)13(15)18/h2,5-6,9,16H,3-4,7-8H2,1H3,(H2,15,18)
InChIKeyBDPWFFQCHITRIX-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.63
Rot. Bonds3

About 2-chloro-6-[3-(methylamino)piperidin-1-yl]benzamide

2-chloro-6-[3-(methylamino)piperidin-1-yl]benzamide (PubChem CID 55084464) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-chloro-6-[3-(methylamino)piperidin-1-yl]benzamide.

Molecular Properties

Compound Name2-chloro-6-[3-(methylamino)piperidin-1-yl]benzamide
PubChem CID55084464
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name2-chloro-6-[3-(methylamino)piperidin-1-yl]benzamide
SMILESCNC1CCCN(c2cccc(Cl)c2C(N)=O)C1
InChIInChI=1S/C13H18ClN3O/c1-16-9-4-3-7-17(8-9)11-6-2-5-10(14)12(11)13(15)18/h2,5-6,9,16H,3-4,7-8H2,1H3,(H2,15,18)
InChIKeyBDPWFFQCHITRIX-UHFFFAOYSA-N
XLogP1.63
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-chloro-6-[3-(methylamino)piperidin-1-yl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[3-(methylamino)piperidin-1-yl]benzamide?
The IUPAC name of 2-chloro-6-[3-(methylamino)piperidin-1-yl]benzamide (CID 55084464) is 2-chloro-6-[3-(methylamino)piperidin-1-yl]benzamide.
What is the SMILES notation for 2-chloro-6-[3-(methylamino)piperidin-1-yl]benzamide?
The canonical SMILES for 2-chloro-6-[3-(methylamino)piperidin-1-yl]benzamide is CNC1CCCN(c2cccc(Cl)c2C(N)=O)C1.
What is the InChIKey of 2-chloro-6-[3-(methylamino)piperidin-1-yl]benzamide?
The InChIKey is BDPWFFQCHITRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-16-9-4-3-7-17(8-9)11-6-2-5-10(14)12(11)13(15)18/h2,5-6,9,16H,3-4,7-8H2,1H3,(H2,15,18).
What are the key properties of 2-chloro-6-[3-(methylamino)piperidin-1-yl]benzamide?
2-chloro-6-[3-(methylamino)piperidin-1-yl]benzamide has a molecular weight of 267.76 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[3-(methylamino)piperidin-1-yl]benzamide is sourced from PubChem (CID 55084464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).