N-(1-ethylpiperidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide

C15H26N6O — CID 119862379

IUPACN-(1-ethylpiperidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESCCN1CCCC(NC(=O)c2cn(C3CCNCC3)nn2)C1
InChIInChI=1S/C15H26N6O/c1-2-20-9-3-4-12(10-20)17-15(22)14-11-21(19-18-14)13-5-7-16-8-6-13/h11-13,16H,2-10H2,1H3,(H,17,22)
InChIKeyCZLAICVFUQYYLC-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.42
Rot. Bonds4

About N-(1-ethylpiperidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide

N-(1-ethylpiperidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119862379) has the molecular formula C15H26N6O and a molecular weight of 306.41 g/mol. Its IUPAC name is N-(1-ethylpiperidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119862379
Molecular FormulaC15H26N6O
Molecular Weight306.41 g/mol
Exact Mass306.22
IUPAC NameN-(1-ethylpiperidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESCCN1CCCC(NC(=O)c2cn(C3CCNCC3)nn2)C1
InChIInChI=1S/C15H26N6O/c1-2-20-9-3-4-12(10-20)17-15(22)14-11-21(19-18-14)13-5-7-16-8-6-13/h11-13,16H,2-10H2,1H3,(H,17,22)
InChIKeyCZLAICVFUQYYLC-UHFFFAOYSA-N
XLogP0.42
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-benzylpiperidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119855967
N-(3-ethylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119793298
N-[1-(2-methylpropyl)piperidin-4-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119841077
N-[2-(cycloheptylamino)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 122080776
N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119883922
N-(4-aminocyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63284768
1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)triazole-4-carboxamide;dihydrochloride
CID 119835561
N-[1-(3-fluorophenyl)piperidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119884129
N-[1-(3-methylpiperidin-1-yl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119863230
N-heptan-2-yl-1-piperidin-4-yltriazole-4-carboxamide
CID 63283433
N-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63283255
N-(2-ethylsulfanylcyclopentyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119818847

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-(1-ethylpiperidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide (CID 119862379) is N-(1-ethylpiperidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-(1-ethylpiperidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-(1-ethylpiperidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide is CCN1CCCC(NC(=O)c2cn(C3CCNCC3)nn2)C1.
What is the InChIKey of N-(1-ethylpiperidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is CZLAICVFUQYYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O/c1-2-20-9-3-4-12(10-20)17-15(22)14-11-21(19-18-14)13-5-7-16-8-6-13/h11-13,16H,2-10H2,1H3,(H,17,22).
What are the key properties of N-(1-ethylpiperidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide?
N-(1-ethylpiperidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119862379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).