4-chloro-2-[methyl(piperidin-3-ylmethyl)amino]benzamide

C14H20ClN3O — CID 106642701

IUPAC4-chloro-2-[methyl(piperidin-3-ylmethyl)amino]benzamide
SMILESCN(CC1CCCNC1)c1cc(Cl)ccc1C(N)=O
InChIInChI=1S/C14H20ClN3O/c1-18(9-10-3-2-6-17-8-10)13-7-11(15)4-5-12(13)14(16)19/h4-5,7,10,17H,2-3,6,8-9H2,1H3,(H2,16,19)
InChIKeyFUQSEYKLFXEQKO-UHFFFAOYSA-N
MW281.79 g/mol
LogP1.87
Rot. Bonds4

About 4-chloro-2-[methyl(piperidin-3-ylmethyl)amino]benzamide

4-chloro-2-[methyl(piperidin-3-ylmethyl)amino]benzamide (PubChem CID 106642701) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 4-chloro-2-[methyl(piperidin-3-ylmethyl)amino]benzamide.

Molecular Properties

Compound Name4-chloro-2-[methyl(piperidin-3-ylmethyl)amino]benzamide
PubChem CID106642701
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name4-chloro-2-[methyl(piperidin-3-ylmethyl)amino]benzamide
SMILESCN(CC1CCCNC1)c1cc(Cl)ccc1C(N)=O
InChIInChI=1S/C14H20ClN3O/c1-18(9-10-3-2-6-17-8-10)13-7-11(15)4-5-12(13)14(16)19/h4-5,7,10,17H,2-3,6,8-9H2,1H3,(H2,16,19)
InChIKeyFUQSEYKLFXEQKO-UHFFFAOYSA-N
XLogP1.87
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-[methyl(piperidin-3-ylmethyl)amino]benzamide
CID 106642759
4-chloro-2-[cyclopentylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 77002613
4-bromo-2-[cyclopropyl(piperidin-3-ylmethyl)amino]benzamide
CID 106643830
7-chloro-N-methyl-N-(piperidin-3-ylmethyl)quinolin-4-amine
CID 106642854
5-bromo-2-fluoro-N-methyl-N-(piperidin-3-ylmethyl)aniline
CID 115209597
2-chloro-4-(piperidin-3-ylmethoxy)benzamide
CID 62944251
4-chloro-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106618868
4-chloro-2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106600096
N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 120851649
5-chloro-2-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 82883859
4-chloro-2-(2-pyrrolidin-3-ylethylamino)benzamide
CID 63623817
2-chloro-5-hydroxy-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627741

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[methyl(piperidin-3-ylmethyl)amino]benzamide?
The IUPAC name of 4-chloro-2-[methyl(piperidin-3-ylmethyl)amino]benzamide (CID 106642701) is 4-chloro-2-[methyl(piperidin-3-ylmethyl)amino]benzamide.
What is the SMILES notation for 4-chloro-2-[methyl(piperidin-3-ylmethyl)amino]benzamide?
The canonical SMILES for 4-chloro-2-[methyl(piperidin-3-ylmethyl)amino]benzamide is CN(CC1CCCNC1)c1cc(Cl)ccc1C(N)=O.
What is the InChIKey of 4-chloro-2-[methyl(piperidin-3-ylmethyl)amino]benzamide?
The InChIKey is FUQSEYKLFXEQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-18(9-10-3-2-6-17-8-10)13-7-11(15)4-5-12(13)14(16)19/h4-5,7,10,17H,2-3,6,8-9H2,1H3,(H2,16,19).
What are the key properties of 4-chloro-2-[methyl(piperidin-3-ylmethyl)amino]benzamide?
4-chloro-2-[methyl(piperidin-3-ylmethyl)amino]benzamide has a molecular weight of 281.79 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[methyl(piperidin-3-ylmethyl)amino]benzamide is sourced from PubChem (CID 106642701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).