N-[2-(4-methylpiperidin-1-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide

C17H30N6O — CID 119866548

IUPACN-[2-(4-methylpiperidin-1-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCC1CCN(C(C)CNC(=O)c2cn(C3CCNCC3)nn2)CC1
InChIInChI=1S/C17H30N6O/c1-13-5-9-22(10-6-13)14(2)11-19-17(24)16-12-23(21-20-16)15-3-7-18-8-4-15/h12-15,18H,3-11H2,1-2H3,(H,19,24)
InChIKeyGJZJTPCNDDVCIO-UHFFFAOYSA-N
MW334.47 g/mol
LogP1.05
Rot. Bonds5

About N-[2-(4-methylpiperidin-1-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide

N-[2-(4-methylpiperidin-1-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119866548) has the molecular formula C17H30N6O and a molecular weight of 334.47 g/mol. Its IUPAC name is N-[2-(4-methylpiperidin-1-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperidin-1-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119866548
Molecular FormulaC17H30N6O
Molecular Weight334.47 g/mol
Exact Mass334.25
IUPAC NameN-[2-(4-methylpiperidin-1-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCC1CCN(C(C)CNC(=O)c2cn(C3CCNCC3)nn2)CC1
InChIInChI=1S/C17H30N6O/c1-13-5-9-22(10-6-13)14(2)11-19-17(24)16-12-23(21-20-16)15-3-7-18-8-4-15/h12-15,18H,3-11H2,1-2H3,(H,19,24)
InChIKeyGJZJTPCNDDVCIO-UHFFFAOYSA-N
XLogP1.05
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673779
N-(2-hydroxy-4,4-dimethylpentyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119793062
N-(3-hydroxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75373004
N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119845153
1-piperidin-4-yl-N-prop-2-ynyltriazole-4-carboxamide
CID 63283381
N-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63283255
methyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283122
N-(3-ethyl-2-morpholin-4-ylpentyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119841672
N-(2-phenylsulfanylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119804407
N-[2-(4-fluorophenoxy)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119804464
N-(1-hydroxypropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63282853
N-[1-(3-methylpiperidin-1-yl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119863230

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperidin-1-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[2-(4-methylpiperidin-1-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide (CID 119866548) is N-[2-(4-methylpiperidin-1-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-methylpiperidin-1-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[2-(4-methylpiperidin-1-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide is CC1CCN(C(C)CNC(=O)c2cn(C3CCNCC3)nn2)CC1.
What is the InChIKey of N-[2-(4-methylpiperidin-1-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is GJZJTPCNDDVCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6O/c1-13-5-9-22(10-6-13)14(2)11-19-17(24)16-12-23(21-20-16)15-3-7-18-8-4-15/h12-15,18H,3-11H2,1-2H3,(H,19,24).
What are the key properties of N-[2-(4-methylpiperidin-1-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide?
N-[2-(4-methylpiperidin-1-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 334.47 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperidin-1-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119866548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).