5-methyl-1-piperidin-4-yl-N-[(1-propylpiperidin-4-yl)methyl]triazole-4-carboxamide

C18H32N6O — CID 119861418

IUPAC5-methyl-1-piperidin-4-yl-N-[(1-propylpiperidin-4-yl)methyl]triazole-4-carboxamide
SMILESCCCN1CCC(CNC(=O)c2nnn(C3CCNCC3)c2C)CC1
InChIInChI=1S/C18H32N6O/c1-3-10-23-11-6-15(7-12-23)13-20-18(25)17-14(2)24(22-21-17)16-4-8-19-9-5-16/h15-16,19H,3-13H2,1-2H3,(H,20,25)
InChIKeyRQVPHWSTDLKLJE-UHFFFAOYSA-N
MW348.50 g/mol
LogP1.36
Rot. Bonds6

About 5-methyl-1-piperidin-4-yl-N-[(1-propylpiperidin-4-yl)methyl]triazole-4-carboxamide

5-methyl-1-piperidin-4-yl-N-[(1-propylpiperidin-4-yl)methyl]triazole-4-carboxamide (PubChem CID 119861418) has the molecular formula C18H32N6O and a molecular weight of 348.50 g/mol. Its IUPAC name is 5-methyl-1-piperidin-4-yl-N-[(1-propylpiperidin-4-yl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-piperidin-4-yl-N-[(1-propylpiperidin-4-yl)methyl]triazole-4-carboxamide
PubChem CID119861418
Molecular FormulaC18H32N6O
Molecular Weight348.50 g/mol
Exact Mass348.26
IUPAC Name5-methyl-1-piperidin-4-yl-N-[(1-propylpiperidin-4-yl)methyl]triazole-4-carboxamide
SMILESCCCN1CCC(CNC(=O)c2nnn(C3CCNCC3)c2C)CC1
InChIInChI=1S/C18H32N6O/c1-3-10-23-11-6-15(7-12-23)13-20-18(25)17-14(2)24(22-21-17)16-4-8-19-9-5-16/h15-16,19H,3-13H2,1-2H3,(H,20,25)
InChIKeyRQVPHWSTDLKLJE-UHFFFAOYSA-N
XLogP1.36
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.50
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-butyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671844
N-(2-cyclopropylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119790407
5-methyl-1-piperidin-4-yl-N-(2-propylhexyl)triazole-4-carboxamide;hydrochloride
CID 119811871
N-(2-cyclohexylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119725707
N-(4-ethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119716143
5-methyl-N-(2-methyl-2-methylsulfanylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119790971
N-(1,4-dithian-2-ylmethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119788252
5-methyl-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 124696094
ethyl 3-[(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)amino]-2-phenylpropanoate
CID 119805444
N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119868873
(4-ethylazepan-1-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
CID 119794876
methyl 7-[(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)amino]heptanoate;hydrochloride
CID 119701295

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-piperidin-4-yl-N-[(1-propylpiperidin-4-yl)methyl]triazole-4-carboxamide?
The IUPAC name of 5-methyl-1-piperidin-4-yl-N-[(1-propylpiperidin-4-yl)methyl]triazole-4-carboxamide (CID 119861418) is 5-methyl-1-piperidin-4-yl-N-[(1-propylpiperidin-4-yl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-piperidin-4-yl-N-[(1-propylpiperidin-4-yl)methyl]triazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-piperidin-4-yl-N-[(1-propylpiperidin-4-yl)methyl]triazole-4-carboxamide is CCCN1CCC(CNC(=O)c2nnn(C3CCNCC3)c2C)CC1.
What is the InChIKey of 5-methyl-1-piperidin-4-yl-N-[(1-propylpiperidin-4-yl)methyl]triazole-4-carboxamide?
The InChIKey is RQVPHWSTDLKLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N6O/c1-3-10-23-11-6-15(7-12-23)13-20-18(25)17-14(2)24(22-21-17)16-4-8-19-9-5-16/h15-16,19H,3-13H2,1-2H3,(H,20,25).
What are the key properties of 5-methyl-1-piperidin-4-yl-N-[(1-propylpiperidin-4-yl)methyl]triazole-4-carboxamide?
5-methyl-1-piperidin-4-yl-N-[(1-propylpiperidin-4-yl)methyl]triazole-4-carboxamide has a molecular weight of 348.50 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-piperidin-4-yl-N-[(1-propylpiperidin-4-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 119861418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).