3-N-(3-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride

C14H20ClN3O2 — CID 120555486

IUPAC3-N-(3-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride
SMILESCC1CNCCC1NC(=O)c1cccc(C(N)=O)c1.Cl
InChIInChI=1S/C14H19N3O2.ClH/c1-9-8-16-6-5-12(9)17-14(19)11-4-2-3-10(7-11)13(15)18;/h2-4,7,9,12,16H,5-6,8H2,1H3,(H2,15,18)(H,17,19);1H
InChIKeyHALOGTRFJHKECT-UHFFFAOYSA-N
MW297.79 g/mol
LogP0.94
Rot. Bonds3

About 3-N-(3-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride

3-N-(3-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride (PubChem CID 120555486) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 3-N-(3-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name3-N-(3-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride
PubChem CID120555486
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name3-N-(3-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride
SMILESCC1CNCCC1NC(=O)c1cccc(C(N)=O)c1.Cl
InChIInChI=1S/C14H19N3O2.ClH/c1-9-8-16-6-5-12(9)17-14(19)11-4-2-3-10(7-11)13(15)18;/h2-4,7,9,12,16H,5-6,8H2,1H3,(H2,15,18)(H,17,19);1H
InChIKeyHALOGTRFJHKECT-UHFFFAOYSA-N
XLogP0.94
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
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

3-N-[(3R)-pyrrolidin-3-yl]benzene-1,3-dicarboxamide
CID 79688346
3-N-[(3S)-pyrrolidin-3-yl]benzene-1,3-dicarboxamide
CID 79689469
N-(3-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
CID 79886276
N-(3-methylpiperidin-4-yl)-3-(propanoylamino)benzamide
CID 120554475
N-(3-methylpiperidin-4-yl)-3-(propan-2-ylcarbamoylamino)benzamide;hydrochloride
CID 120557334
3-[3-[(3-methylpiperidin-4-yl)amino]-3-oxopropoxy]benzamide;hydrochloride
CID 120557025
3-(3-methoxypropoxy)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120555078
4-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557720
3-(diethylsulfamoyl)-N-(3-methylpiperidin-4-yl)benzamide
CID 120556196
4-chloro-3-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557633
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557136
N-(3-methylpiperidin-4-yl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide;dihydrochloride
CID 120553090

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride?
The IUPAC name of 3-N-(3-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride (CID 120555486) is 3-N-(3-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride.
What is the SMILES notation for 3-N-(3-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride?
The canonical SMILES for 3-N-(3-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride is CC1CNCCC1NC(=O)c1cccc(C(N)=O)c1.Cl.
What is the InChIKey of 3-N-(3-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride?
The InChIKey is HALOGTRFJHKECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2.ClH/c1-9-8-16-6-5-12(9)17-14(19)11-4-2-3-10(7-11)13(15)18;/h2-4,7,9,12,16H,5-6,8H2,1H3,(H2,15,18)(H,17,19);1H.
What are the key properties of 3-N-(3-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride?
3-N-(3-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride has a molecular weight of 297.79 g/mol, XLogP of 0.94, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride is sourced from PubChem (CID 120555486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).