N-(2-methylpiperidin-3-yl)-2-(1,2,4-triazol-1-ylmethyl)benzamide;hydrochloride

C16H22ClN5O — CID 120577532

IUPACN-(2-methylpiperidin-3-yl)-2-(1,2,4-triazol-1-ylmethyl)benzamide;hydrochloride
SMILESCC1NCCCC1NC(=O)c1ccccc1Cn1cncn1.Cl
InChIInChI=1S/C16H21N5O.ClH/c1-12-15(7-4-8-18-12)20-16(22)14-6-3-2-5-13(14)9-21-11-17-10-19-21;/h2-3,5-6,10-12,15,18H,4,7-9H2,1H3,(H,20,22);1H
InChIKeyCSUBAUHXRUOECT-UHFFFAOYSA-N
MW335.84 g/mol
LogP1.62
Rot. Bonds4

About N-(2-methylpiperidin-3-yl)-2-(1,2,4-triazol-1-ylmethyl)benzamide;hydrochloride

N-(2-methylpiperidin-3-yl)-2-(1,2,4-triazol-1-ylmethyl)benzamide;hydrochloride (PubChem CID 120577532) has the molecular formula C16H22ClN5O and a molecular weight of 335.84 g/mol. Its IUPAC name is N-(2-methylpiperidin-3-yl)-2-(1,2,4-triazol-1-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylpiperidin-3-yl)-2-(1,2,4-triazol-1-ylmethyl)benzamide;hydrochloride
PubChem CID120577532
Molecular FormulaC16H22ClN5O
Molecular Weight335.84 g/mol
Exact Mass335.15
IUPAC NameN-(2-methylpiperidin-3-yl)-2-(1,2,4-triazol-1-ylmethyl)benzamide;hydrochloride
SMILESCC1NCCCC1NC(=O)c1ccccc1Cn1cncn1.Cl
InChIInChI=1S/C16H21N5O.ClH/c1-12-15(7-4-8-18-12)20-16(22)14-6-3-2-5-13(14)9-21-11-17-10-19-21;/h2-3,5-6,10-12,15,18H,4,7-9H2,1H3,(H,20,22);1H
InChIKeyCSUBAUHXRUOECT-UHFFFAOYSA-N
XLogP1.62
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,2R)-2-cyclohexylcyclopropyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide
CID 97080048
2-benzyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120573776
2-benzyl-N-(2-methylpiperidin-3-yl)benzamide
CID 120573777
N-[(1S,3R)-3-cyclopropylcyclohexyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide
CID 96565837
N-(2-pyrrolidin-3-ylethyl)-2-(1,2,4-triazol-1-ylmethyl)benzamide;hydrochloride
CID 119537563
N-(2-methylpiperidin-3-yl)-2-phenylacetamide;hydrochloride
CID 120574528
1-benzyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide;hydrochloride
CID 120574286
N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride
CID 119846737
1-benzyl-5-methyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide
CID 120577133
1-benzyl-N-(2-methylpiperidin-3-yl)-3-phenylpyrazole-4-carboxamide
CID 120574310
N-[(2R,3R)-2-methylpiperidin-3-yl]benzamide
CID 124511336
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide
CID 120948225

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-3-yl)-2-(1,2,4-triazol-1-ylmethyl)benzamide;hydrochloride?
The IUPAC name of N-(2-methylpiperidin-3-yl)-2-(1,2,4-triazol-1-ylmethyl)benzamide;hydrochloride (CID 120577532) is N-(2-methylpiperidin-3-yl)-2-(1,2,4-triazol-1-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for N-(2-methylpiperidin-3-yl)-2-(1,2,4-triazol-1-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for N-(2-methylpiperidin-3-yl)-2-(1,2,4-triazol-1-ylmethyl)benzamide;hydrochloride is CC1NCCCC1NC(=O)c1ccccc1Cn1cncn1.Cl.
What is the InChIKey of N-(2-methylpiperidin-3-yl)-2-(1,2,4-triazol-1-ylmethyl)benzamide;hydrochloride?
The InChIKey is CSUBAUHXRUOECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O.ClH/c1-12-15(7-4-8-18-12)20-16(22)14-6-3-2-5-13(14)9-21-11-17-10-19-21;/h2-3,5-6,10-12,15,18H,4,7-9H2,1H3,(H,20,22);1H.
What are the key properties of N-(2-methylpiperidin-3-yl)-2-(1,2,4-triazol-1-ylmethyl)benzamide;hydrochloride?
N-(2-methylpiperidin-3-yl)-2-(1,2,4-triazol-1-ylmethyl)benzamide;hydrochloride has a molecular weight of 335.84 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-3-yl)-2-(1,2,4-triazol-1-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 120577532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).