3-[(2-methylcyclopropanecarbonyl)amino]-N-(piperidin-3-ylmethyl)benzamide;hydrochloride

C18H26ClN3O2 — CID 119463091

IUPAC3-[(2-methylcyclopropanecarbonyl)amino]-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
SMILESCC1CC1C(=O)Nc1cccc(C(=O)NCC2CCCNC2)c1.Cl
InChIInChI=1S/C18H25N3O2.ClH/c1-12-8-16(12)18(23)21-15-6-2-5-14(9-15)17(22)20-11-13-4-3-7-19-10-13;/h2,5-6,9,12-13,16,19H,3-4,7-8,10-11H2,1H3,(H,20,22)(H,21,23);1H
InChIKeyZFBNXDCWTYFYCO-UHFFFAOYSA-N
MW351.88 g/mol
LogP2.43
Rot. Bonds5

About 3-[(2-methylcyclopropanecarbonyl)amino]-N-(piperidin-3-ylmethyl)benzamide;hydrochloride

3-[(2-methylcyclopropanecarbonyl)amino]-N-(piperidin-3-ylmethyl)benzamide;hydrochloride (PubChem CID 119463091) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is 3-[(2-methylcyclopropanecarbonyl)amino]-N-(piperidin-3-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-[(2-methylcyclopropanecarbonyl)amino]-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
PubChem CID119463091
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC Name3-[(2-methylcyclopropanecarbonyl)amino]-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
SMILESCC1CC1C(=O)Nc1cccc(C(=O)NCC2CCCNC2)c1.Cl
InChIInChI=1S/C18H25N3O2.ClH/c1-12-8-16(12)18(23)21-15-6-2-5-14(9-15)17(22)20-11-13-4-3-7-19-10-13;/h2,5-6,9,12-13,16,19H,3-4,7-8,10-11H2,1H3,(H,20,22)(H,21,23);1H
InChIKeyZFBNXDCWTYFYCO-UHFFFAOYSA-N
XLogP2.43
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-methylcyclopropanecarbonyl)amino]-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513177
3-[(2-methylcyclopropanecarbonyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119536660
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide;hydrochloride
CID 120948616
3-N-(piperidin-3-ylmethyl)benzene-1,3-dicarboxamide;hydrochloride
CID 119463124
N-[3-(piperidin-3-ylmethylcarbamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 119461957
N-[(1-ethylpiperidin-4-yl)methyl]-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 94184057
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
3-[(2-methylcyclopropanecarbonyl)amino]-N-piperidin-4-ylbenzamide;hydrochloride
CID 119388968
N-[3-(propylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119283131
4-(phenylcarbamoylamino)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462020
N-[3-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide;hydrochloride
CID 119432738
N-[2-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 120827773

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylcyclopropanecarbonyl)amino]-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
The IUPAC name of 3-[(2-methylcyclopropanecarbonyl)amino]-N-(piperidin-3-ylmethyl)benzamide;hydrochloride (CID 119463091) is 3-[(2-methylcyclopropanecarbonyl)amino]-N-(piperidin-3-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for 3-[(2-methylcyclopropanecarbonyl)amino]-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for 3-[(2-methylcyclopropanecarbonyl)amino]-N-(piperidin-3-ylmethyl)benzamide;hydrochloride is CC1CC1C(=O)Nc1cccc(C(=O)NCC2CCCNC2)c1.Cl.
What is the InChIKey of 3-[(2-methylcyclopropanecarbonyl)amino]-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
The InChIKey is ZFBNXDCWTYFYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2.ClH/c1-12-8-16(12)18(23)21-15-6-2-5-14(9-15)17(22)20-11-13-4-3-7-19-10-13;/h2,5-6,9,12-13,16,19H,3-4,7-8,10-11H2,1H3,(H,20,22)(H,21,23);1H.
What are the key properties of 3-[(2-methylcyclopropanecarbonyl)amino]-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
3-[(2-methylcyclopropanecarbonyl)amino]-N-(piperidin-3-ylmethyl)benzamide;hydrochloride has a molecular weight of 351.88 g/mol, XLogP of 2.43, 5 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-(piperidin-3-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 119463091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).