3-[(2-methylcyclopropanecarbonyl)amino]-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride

C18H26ClN3O2 — CID 120598473

IUPAC3-[(2-methylcyclopropanecarbonyl)amino]-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
SMILESCC1CC(NC(=O)c2cccc(NC(=O)C3CC3C)c2)CCN1.Cl
InChIInChI=1S/C18H25N3O2.ClH/c1-11-8-16(11)18(23)21-14-5-3-4-13(10-14)17(22)20-15-6-7-19-12(2)9-15;/h3-5,10-12,15-16,19H,6-9H2,1-2H3,(H,20,22)(H,21,23);1H
InChIKeyISYHMGHSRFZMIN-UHFFFAOYSA-N
MW351.88 g/mol
LogP2.57
Rot. Bonds4

About 3-[(2-methylcyclopropanecarbonyl)amino]-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride

3-[(2-methylcyclopropanecarbonyl)amino]-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride (PubChem CID 120598473) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is 3-[(2-methylcyclopropanecarbonyl)amino]-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-[(2-methylcyclopropanecarbonyl)amino]-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
PubChem CID120598473
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC Name3-[(2-methylcyclopropanecarbonyl)amino]-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
SMILESCC1CC(NC(=O)c2cccc(NC(=O)C3CC3C)c2)CCN1.Cl
InChIInChI=1S/C18H25N3O2.ClH/c1-11-8-16(11)18(23)21-14-5-3-4-13(10-14)17(22)20-15-6-7-19-12(2)9-15;/h3-5,10-12,15-16,19H,6-9H2,1-2H3,(H,20,22)(H,21,23);1H
InChIKeyISYHMGHSRFZMIN-UHFFFAOYSA-N
XLogP2.57
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-methylcyclopropanecarbonyl)amino]-N-piperidin-4-ylbenzamide;hydrochloride
CID 119388968
(2S,4S)-N-[3-(cyclopropylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120631994
N-cyclooctyl-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 39896916
N-(4-hydroxycyclohexyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 110888559
3-bromo-N-(2-methylpiperidin-4-yl)benzamide
CID 106995558
3-chloro-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120602026
3-N,3-N-dimethyl-1-N-(2-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 120599313
N-(2-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
CID 106995588
trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342
3-[(2-methylcyclopropanecarbonyl)amino]-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513177
N-[3-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide;hydrochloride
CID 119432738
N-[2-(4-fluorophenyl)ethyl]-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 38705932

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylcyclopropanecarbonyl)amino]-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride?
The IUPAC name of 3-[(2-methylcyclopropanecarbonyl)amino]-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride (CID 120598473) is 3-[(2-methylcyclopropanecarbonyl)amino]-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride.
What is the SMILES notation for 3-[(2-methylcyclopropanecarbonyl)amino]-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride?
The canonical SMILES for 3-[(2-methylcyclopropanecarbonyl)amino]-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride is CC1CC(NC(=O)c2cccc(NC(=O)C3CC3C)c2)CCN1.Cl.
What is the InChIKey of 3-[(2-methylcyclopropanecarbonyl)amino]-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride?
The InChIKey is ISYHMGHSRFZMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2.ClH/c1-11-8-16(11)18(23)21-14-5-3-4-13(10-14)17(22)20-15-6-7-19-12(2)9-15;/h3-5,10-12,15-16,19H,6-9H2,1-2H3,(H,20,22)(H,21,23);1H.
What are the key properties of 3-[(2-methylcyclopropanecarbonyl)amino]-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride?
3-[(2-methylcyclopropanecarbonyl)amino]-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride has a molecular weight of 351.88 g/mol, XLogP of 2.57, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylcyclopropanecarbonyl)amino]-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride is sourced from PubChem (CID 120598473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).