2-methyl-N-(3-piperazin-1-ylpropyl)-4-(1,2,4-triazol-1-yl)benzamide

C17H24N6O — CID 119394617

IUPAC2-methyl-N-(3-piperazin-1-ylpropyl)-4-(1,2,4-triazol-1-yl)benzamide
SMILESCc1cc(-n2cncn2)ccc1C(=O)NCCCN1CCNCC1
InChIInChI=1S/C17H24N6O/c1-14-11-15(23-13-19-12-21-23)3-4-16(14)17(24)20-5-2-8-22-9-6-18-7-10-22/h3-4,11-13,18H,2,5-10H2,1H3,(H,20,24)
InChIKeyYHURIOZFTHTMOH-UHFFFAOYSA-N
MW328.42 g/mol
LogP0.60
Rot. Bonds6

About 2-methyl-N-(3-piperazin-1-ylpropyl)-4-(1,2,4-triazol-1-yl)benzamide

2-methyl-N-(3-piperazin-1-ylpropyl)-4-(1,2,4-triazol-1-yl)benzamide (PubChem CID 119394617) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-methyl-N-(3-piperazin-1-ylpropyl)-4-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound Name2-methyl-N-(3-piperazin-1-ylpropyl)-4-(1,2,4-triazol-1-yl)benzamide
PubChem CID119394617
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name2-methyl-N-(3-piperazin-1-ylpropyl)-4-(1,2,4-triazol-1-yl)benzamide
SMILESCc1cc(-n2cncn2)ccc1C(=O)NCCCN1CCNCC1
InChIInChI=1S/C17H24N6O/c1-14-11-15(23-13-19-12-21-23)3-4-16(14)17(24)20-5-2-8-22-9-6-18-7-10-22/h3-4,11-13,18H,2,5-10H2,1H3,(H,20,24)
InChIKeyYHURIOZFTHTMOH-UHFFFAOYSA-N
XLogP0.60
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 50.60
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

N-(3-piperazin-1-ylpropyl)-2-(1,2,4-triazol-1-ylmethyl)benzamide;hydrochloride
CID 119394078
3-hydroxy-4-methyl-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443390
N-(3-piperazin-1-ylpropyl)-4-pyrazol-1-ylbenzamide
CID 119391850
3-(methanesulfonamido)-4-methyl-N-(3-piperazin-1-ylpropyl)benzamide
CID 119392350
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119448189
N-[(2-tert-butyloxolan-3-yl)methyl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 71998579
1-(4-fluorophenyl)-2,5-dimethyl-N-(3-piperazin-1-ylpropyl)pyrrole-3-carboxamide;hydrochloride
CID 119393216
2,3,4-trifluoro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119392644
2,5-dichloro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443285
4-bromo-2-chloro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43805782
[3-(hydroxymethyl)azetidin-1-yl]-[2-methyl-4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 154736073
4-bromo-2-methoxy-N-(3-piperazin-1-ylpropyl)benzamide
CID 81464328

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-piperazin-1-ylpropyl)-4-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of 2-methyl-N-(3-piperazin-1-ylpropyl)-4-(1,2,4-triazol-1-yl)benzamide (CID 119394617) is 2-methyl-N-(3-piperazin-1-ylpropyl)-4-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for 2-methyl-N-(3-piperazin-1-ylpropyl)-4-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for 2-methyl-N-(3-piperazin-1-ylpropyl)-4-(1,2,4-triazol-1-yl)benzamide is Cc1cc(-n2cncn2)ccc1C(=O)NCCCN1CCNCC1.
What is the InChIKey of 2-methyl-N-(3-piperazin-1-ylpropyl)-4-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is YHURIOZFTHTMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-14-11-15(23-13-19-12-21-23)3-4-16(14)17(24)20-5-2-8-22-9-6-18-7-10-22/h3-4,11-13,18H,2,5-10H2,1H3,(H,20,24).
What are the key properties of 2-methyl-N-(3-piperazin-1-ylpropyl)-4-(1,2,4-triazol-1-yl)benzamide?
2-methyl-N-(3-piperazin-1-ylpropyl)-4-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 328.42 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-piperazin-1-ylpropyl)-4-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 119394617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).