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

C17H30N6O — CID 122080776

IUPACN-[2-(cycloheptylamino)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(NCCNC1CCCCCC1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C17H30N6O/c24-17(20-12-11-19-14-5-3-1-2-4-6-14)16-13-23(22-21-16)15-7-9-18-10-8-15/h13-15,18-19H,1-12H2,(H,20,24)
InChIKeyWFQMWMAVQXTKCO-UHFFFAOYSA-N
MW334.47 g/mol
LogP1.24
Rot. Bonds6

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

N-[2-(cycloheptylamino)ethyl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 122080776) has the molecular formula C17H30N6O and a molecular weight of 334.47 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID122080776
Molecular FormulaC17H30N6O
Molecular Weight334.47 g/mol
Exact Mass334.25
IUPAC NameN-[2-(cycloheptylamino)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(NCCNC1CCCCCC1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C17H30N6O/c24-17(20-12-11-19-14-5-3-1-2-4-6-14)16-13-23(22-21-16)15-7-9-18-10-8-15/h13-15,18-19H,1-12H2,(H,20,24)
InChIKeyWFQMWMAVQXTKCO-UHFFFAOYSA-N
XLogP1.24
TPSA83.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyclohexylethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119725715
N-[2-[(2-cyclohexylacetyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119766778
N-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63283255
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-(5-amino-5-oxopentyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 106235634
1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)triazole-4-carboxamide;dihydrochloride
CID 119835561
1-piperidin-4-yl-N-(2-thiomorpholin-4-ylethyl)triazole-4-carboxamide
CID 119853614
N-(6-hydroxyhexyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 107842557
N-[2-(cyclopenten-1-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 106175162
N-but-3-enyl-1-piperidin-4-yltriazole-4-carboxamide
CID 113465689
N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 125118838

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-1-piperidin-4-yltriazole-4-carboxamide (CID 122080776) is N-[2-(cycloheptylamino)ethyl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-1-piperidin-4-yltriazole-4-carboxamide is O=C(NCCNC1CCCCCC1)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is WFQMWMAVQXTKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6O/c24-17(20-12-11-19-14-5-3-1-2-4-6-14)16-13-23(22-21-16)15-7-9-18-10-8-15/h13-15,18-19H,1-12H2,(H,20,24).
What are the key properties of N-[2-(cycloheptylamino)ethyl]-1-piperidin-4-yltriazole-4-carboxamide?
N-[2-(cycloheptylamino)ethyl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 334.47 g/mol, XLogP of 1.24, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 122080776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).