N-(3-piperazin-1-ylpropyl)-2-(1,2,4-triazol-1-ylmethyl)benzamide;hydrochloride

C17H25ClN6O — CID 119394078

IUPACN-(3-piperazin-1-ylpropyl)-2-(1,2,4-triazol-1-ylmethyl)benzamide;hydrochloride
SMILESCl.O=C(NCCCN1CCNCC1)c1ccccc1Cn1cncn1
InChIInChI=1S/C17H24N6O.ClH/c24-17(20-6-3-9-22-10-7-18-8-11-22)16-5-2-1-4-15(16)12-23-14-19-13-21-23;/h1-2,4-5,13-14,18H,3,6-12H2,(H,20,24);1H
InChIKeyAXCSZYGZDNUUTO-UHFFFAOYSA-N
MW364.88 g/mol
LogP0.77
Rot. Bonds7

About N-(3-piperazin-1-ylpropyl)-2-(1,2,4-triazol-1-ylmethyl)benzamide;hydrochloride

N-(3-piperazin-1-ylpropyl)-2-(1,2,4-triazol-1-ylmethyl)benzamide;hydrochloride (PubChem CID 119394078) has the molecular formula C17H25ClN6O and a molecular weight of 364.88 g/mol. Its IUPAC name is N-(3-piperazin-1-ylpropyl)-2-(1,2,4-triazol-1-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-piperazin-1-ylpropyl)-2-(1,2,4-triazol-1-ylmethyl)benzamide;hydrochloride
PubChem CID119394078
Molecular FormulaC17H25ClN6O
Molecular Weight364.88 g/mol
Exact Mass364.18
IUPAC NameN-(3-piperazin-1-ylpropyl)-2-(1,2,4-triazol-1-ylmethyl)benzamide;hydrochloride
SMILESCl.O=C(NCCCN1CCNCC1)c1ccccc1Cn1cncn1
InChIInChI=1S/C17H24N6O.ClH/c24-17(20-6-3-9-22-10-7-18-8-11-22)16-5-2-1-4-15(16)12-23-14-19-13-21-23;/h1-2,4-5,13-14,18H,3,6-12H2,(H,20,24);1H
InChIKeyAXCSZYGZDNUUTO-UHFFFAOYSA-N
XLogP0.77
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(2-chlorophenyl)methyl]-N-(3-piperazin-1-ylpropyl)pyrazole-4-carboxamide;hydrochloride
CID 119393831
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide
CID 120948225
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide
CID 120890077
2-methyl-N-(3-piperazin-1-ylpropyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 119394617
2-(4-fluorobenzoyl)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119390823
2,3-dichloro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443287
N-(3-piperazin-1-ylpropyl)-2-propan-2-ylsulfanylbenzamide
CID 119393290
2-[(2-chlorophenyl)methoxy]-N-(3-piperazin-1-ylpropyl)benzamide
CID 119393698
2,3,4-trifluoro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119392644
2-(2-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 43443368
N-(3-piperazin-1-ylpropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide;hydrochloride
CID 119391345
2-methoxy-N-(3-piperazin-1-ylpropyl)pyridine-3-carboxamide
CID 62874313

Frequently Asked Questions

What is the IUPAC name of N-(3-piperazin-1-ylpropyl)-2-(1,2,4-triazol-1-ylmethyl)benzamide;hydrochloride?
The IUPAC name of N-(3-piperazin-1-ylpropyl)-2-(1,2,4-triazol-1-ylmethyl)benzamide;hydrochloride (CID 119394078) is N-(3-piperazin-1-ylpropyl)-2-(1,2,4-triazol-1-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for N-(3-piperazin-1-ylpropyl)-2-(1,2,4-triazol-1-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for N-(3-piperazin-1-ylpropyl)-2-(1,2,4-triazol-1-ylmethyl)benzamide;hydrochloride is Cl.O=C(NCCCN1CCNCC1)c1ccccc1Cn1cncn1.
What is the InChIKey of N-(3-piperazin-1-ylpropyl)-2-(1,2,4-triazol-1-ylmethyl)benzamide;hydrochloride?
The InChIKey is AXCSZYGZDNUUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O.ClH/c24-17(20-6-3-9-22-10-7-18-8-11-22)16-5-2-1-4-15(16)12-23-14-19-13-21-23;/h1-2,4-5,13-14,18H,3,6-12H2,(H,20,24);1H.
What are the key properties of N-(3-piperazin-1-ylpropyl)-2-(1,2,4-triazol-1-ylmethyl)benzamide;hydrochloride?
N-(3-piperazin-1-ylpropyl)-2-(1,2,4-triazol-1-ylmethyl)benzamide;hydrochloride has a molecular weight of 364.88 g/mol, XLogP of 0.77, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperazin-1-ylpropyl)-2-(1,2,4-triazol-1-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 119394078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).