N-[2-(2-ethylpiperidin-1-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide

C17H30N6O — CID 119887791

IUPACN-[2-(2-ethylpiperidin-1-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCCC1CCCCN1CCNC(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C17H30N6O/c1-2-14-5-3-4-11-22(14)12-10-19-17(24)16-13-23(21-20-16)15-6-8-18-9-7-15/h13-15,18H,2-12H2,1H3,(H,19,24)
InChIKeyFYYYRUAGWFQUDW-UHFFFAOYSA-N
MW334.47 g/mol
LogP1.20
Rot. Bonds6

About N-[2-(2-ethylpiperidin-1-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide

N-[2-(2-ethylpiperidin-1-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119887791) has the molecular formula C17H30N6O and a molecular weight of 334.47 g/mol. Its IUPAC name is N-[2-(2-ethylpiperidin-1-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-ethylpiperidin-1-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119887791
Molecular FormulaC17H30N6O
Molecular Weight334.47 g/mol
Exact Mass334.25
IUPAC NameN-[2-(2-ethylpiperidin-1-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCCC1CCCCN1CCNC(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C17H30N6O/c1-2-14-5-3-4-11-22(14)12-10-19-17(24)16-13-23(21-20-16)15-6-8-18-9-7-15/h13-15,18H,2-12H2,1H3,(H,19,24)
InChIKeyFYYYRUAGWFQUDW-UHFFFAOYSA-N
XLogP1.20
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)triazole-4-carboxamide;dihydrochloride
CID 119835561
N-[2-(cycloheptylamino)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 122080776
N-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63283255
1-piperidin-4-yl-N-(2-thiomorpholin-4-ylethyl)triazole-4-carboxamide
CID 119853614
N-(2-cyclohexylethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119725715
N-(3-oxo-3-piperidin-1-ylpropyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119718616
N-(cyclohexylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672522
N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 125118838
1-piperidin-4-yl-N-prop-2-ynyltriazole-4-carboxamide
CID 63283381
N-(cyclobutylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119724139
N-(6-hydroxyhexyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 107842557
N-[3-(dipropylamino)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119861207

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylpiperidin-1-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[2-(2-ethylpiperidin-1-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide (CID 119887791) is N-[2-(2-ethylpiperidin-1-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-ethylpiperidin-1-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[2-(2-ethylpiperidin-1-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide is CCC1CCCCN1CCNC(=O)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-[2-(2-ethylpiperidin-1-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is FYYYRUAGWFQUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6O/c1-2-14-5-3-4-11-22(14)12-10-19-17(24)16-13-23(21-20-16)15-6-8-18-9-7-15/h13-15,18H,2-12H2,1H3,(H,19,24).
What are the key properties of N-[2-(2-ethylpiperidin-1-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide?
N-[2-(2-ethylpiperidin-1-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 334.47 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylpiperidin-1-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119887791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).