3-N-(piperidin-3-ylmethyl)benzene-1,3-dicarboxamide;hydrochloride

C14H20ClN3O2 — CID 119463124

IUPAC3-N-(piperidin-3-ylmethyl)benzene-1,3-dicarboxamide;hydrochloride
SMILESCl.NC(=O)c1cccc(C(=O)NCC2CCCNC2)c1
InChIInChI=1S/C14H19N3O2.ClH/c15-13(18)11-4-1-5-12(7-11)14(19)17-9-10-3-2-6-16-8-10;/h1,4-5,7,10,16H,2-3,6,8-9H2,(H2,15,18)(H,17,19);1H
InChIKeySFZMAAJZOWGRRR-UHFFFAOYSA-N
MW297.79 g/mol
LogP0.94
Rot. Bonds4

About 3-N-(piperidin-3-ylmethyl)benzene-1,3-dicarboxamide;hydrochloride

3-N-(piperidin-3-ylmethyl)benzene-1,3-dicarboxamide;hydrochloride (PubChem CID 119463124) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 3-N-(piperidin-3-ylmethyl)benzene-1,3-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name3-N-(piperidin-3-ylmethyl)benzene-1,3-dicarboxamide;hydrochloride
PubChem CID119463124
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name3-N-(piperidin-3-ylmethyl)benzene-1,3-dicarboxamide;hydrochloride
SMILESCl.NC(=O)c1cccc(C(=O)NCC2CCCNC2)c1
InChIInChI=1S/C14H19N3O2.ClH/c15-13(18)11-4-1-5-12(7-11)14(19)17-9-10-3-2-6-16-8-10;/h1,4-5,7,10,16H,2-3,6,8-9H2,(H2,15,18)(H,17,19);1H
InChIKeySFZMAAJZOWGRRR-UHFFFAOYSA-N
XLogP0.94
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
3-[(piperidin-3-ylmethylamino)methyl]benzamide
CID 80553685
3-[(2-methylcyclopropanecarbonyl)amino]-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119463091
3-[3-oxo-3-(piperidin-3-ylmethylamino)propoxy]benzamide
CID 119464575
3-(cyclopropylsulfamoyl)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119460525
2-N-(piperidin-3-ylmethyl)thiophene-2,4-dicarboxamide;hydrochloride
CID 119463278
4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462898
N-(piperidin-3-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide;hydrochloride
CID 119463506
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(piperidin-3-ylmethyl)benzamide
CID 119463641
4-(phenylcarbamoylamino)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462020
N-(piperidin-3-ylmethyl)quinoline-6-carboxamide
CID 62874382
3-[methyl(propan-2-yl)sulfamoyl]-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462288

Frequently Asked Questions

What is the IUPAC name of 3-N-(piperidin-3-ylmethyl)benzene-1,3-dicarboxamide;hydrochloride?
The IUPAC name of 3-N-(piperidin-3-ylmethyl)benzene-1,3-dicarboxamide;hydrochloride (CID 119463124) is 3-N-(piperidin-3-ylmethyl)benzene-1,3-dicarboxamide;hydrochloride.
What is the SMILES notation for 3-N-(piperidin-3-ylmethyl)benzene-1,3-dicarboxamide;hydrochloride?
The canonical SMILES for 3-N-(piperidin-3-ylmethyl)benzene-1,3-dicarboxamide;hydrochloride is Cl.NC(=O)c1cccc(C(=O)NCC2CCCNC2)c1.
What is the InChIKey of 3-N-(piperidin-3-ylmethyl)benzene-1,3-dicarboxamide;hydrochloride?
The InChIKey is SFZMAAJZOWGRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2.ClH/c15-13(18)11-4-1-5-12(7-11)14(19)17-9-10-3-2-6-16-8-10;/h1,4-5,7,10,16H,2-3,6,8-9H2,(H2,15,18)(H,17,19);1H.
What are the key properties of 3-N-(piperidin-3-ylmethyl)benzene-1,3-dicarboxamide;hydrochloride?
3-N-(piperidin-3-ylmethyl)benzene-1,3-dicarboxamide;hydrochloride has a molecular weight of 297.79 g/mol, XLogP of 0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(piperidin-3-ylmethyl)benzene-1,3-dicarboxamide;hydrochloride is sourced from PubChem (CID 119463124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).