2-methyl-N-piperidin-4-yl-N-propyl-4-(1,2,4-triazol-1-yl)benzamide

C18H25N5O — CID 119826397

IUPAC2-methyl-N-piperidin-4-yl-N-propyl-4-(1,2,4-triazol-1-yl)benzamide
SMILESCCCN(C(=O)c1ccc(-n2cncn2)cc1C)C1CCNCC1
InChIInChI=1S/C18H25N5O/c1-3-10-22(15-6-8-19-9-7-15)18(24)17-5-4-16(11-14(17)2)23-13-20-12-21-23/h4-5,11-13,15,19H,3,6-10H2,1-2H3
InChIKeyATIKSMOIOAROSW-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.18
Rot. Bonds5

About 2-methyl-N-piperidin-4-yl-N-propyl-4-(1,2,4-triazol-1-yl)benzamide

2-methyl-N-piperidin-4-yl-N-propyl-4-(1,2,4-triazol-1-yl)benzamide (PubChem CID 119826397) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-methyl-N-piperidin-4-yl-N-propyl-4-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound Name2-methyl-N-piperidin-4-yl-N-propyl-4-(1,2,4-triazol-1-yl)benzamide
PubChem CID119826397
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name2-methyl-N-piperidin-4-yl-N-propyl-4-(1,2,4-triazol-1-yl)benzamide
SMILESCCCN(C(=O)c1ccc(-n2cncn2)cc1C)C1CCNCC1
InChIInChI=1S/C18H25N5O/c1-3-10-22(15-6-8-19-9-7-15)18(24)17-5-4-16(11-14(17)2)23-13-20-12-21-23/h4-5,11-13,15,19H,3,6-10H2,1-2H3
InChIKeyATIKSMOIOAROSW-UHFFFAOYSA-N
XLogP2.18
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-piperidin-4-yl-N-propyl-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride
CID 119825937
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119825539
4-bromo-2-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 63300963
N-ethyl-2,4-dimethyl-N-piperidin-4-ylbenzamide
CID 60807085
N-piperidin-4-yl-N-propyl-4-pyrazol-1-ylbenzamide;hydrochloride
CID 119824042
[3-(hydroxymethyl)azetidin-1-yl]-[2-methyl-4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 154736073
2-methyl-N-(3-piperazin-1-ylpropyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 119394617
3,5-dimethyl-N-piperidin-4-yl-N-propylfuran-2-carboxamide
CID 119823817
5-methyl-1-phenyl-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride
CID 119825262
3-[[2-methyl-4-(1,2,4-triazol-1-yl)benzoyl]-[[(2S)-oxolan-2-yl]methyl]amino]propanoic acid
CID 125153935
2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 60805843
2-bromo-3-methyl-N-piperidin-4-yl-N-propylbenzamide
CID 107983067

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-piperidin-4-yl-N-propyl-4-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of 2-methyl-N-piperidin-4-yl-N-propyl-4-(1,2,4-triazol-1-yl)benzamide (CID 119826397) is 2-methyl-N-piperidin-4-yl-N-propyl-4-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for 2-methyl-N-piperidin-4-yl-N-propyl-4-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for 2-methyl-N-piperidin-4-yl-N-propyl-4-(1,2,4-triazol-1-yl)benzamide is CCCN(C(=O)c1ccc(-n2cncn2)cc1C)C1CCNCC1.
What is the InChIKey of 2-methyl-N-piperidin-4-yl-N-propyl-4-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is ATIKSMOIOAROSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-3-10-22(15-6-8-19-9-7-15)18(24)17-5-4-16(11-14(17)2)23-13-20-12-21-23/h4-5,11-13,15,19H,3,6-10H2,1-2H3.
What are the key properties of 2-methyl-N-piperidin-4-yl-N-propyl-4-(1,2,4-triazol-1-yl)benzamide?
2-methyl-N-piperidin-4-yl-N-propyl-4-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 327.43 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-piperidin-4-yl-N-propyl-4-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 119826397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).