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

C18H30N6O2 — CID 119766778

IUPACN-[2-[(2-cyclohexylacetyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(CC1CCCCC1)NCCNC(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C18H30N6O2/c25-17(12-14-4-2-1-3-5-14)20-10-11-21-18(26)16-13-24(23-22-16)15-6-8-19-9-7-15/h13-15,19H,1-12H2,(H,20,25)(H,21,26)
InChIKeyXNTPRWXEANREEE-UHFFFAOYSA-N
MW362.48 g/mol
LogP1.02
Rot. Bonds7

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

N-[2-[(2-cyclohexylacetyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119766778) has the molecular formula C18H30N6O2 and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[2-[(2-cyclohexylacetyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-cyclohexylacetyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119766778
Molecular FormulaC18H30N6O2
Molecular Weight362.48 g/mol
Exact Mass362.24
IUPAC NameN-[2-[(2-cyclohexylacetyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(CC1CCCCC1)NCCNC(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C18H30N6O2/c25-17(12-14-4-2-1-3-5-14)20-10-11-21-18(26)16-13-24(23-22-16)15-6-8-19-9-7-15/h13-15,19H,1-12H2,(H,20,25)(H,21,26)
InChIKeyXNTPRWXEANREEE-UHFFFAOYSA-N
XLogP1.02
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 51.02
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-(cycloheptylamino)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 122080776
N-(cyclohexylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672522
N-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63283255
N-(cyclobutylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119724139
N-(6-hydroxyhexyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 107842557
N-(3-oxo-3-piperidin-1-ylpropyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119718616
N-but-3-enyl-1-piperidin-4-yltriazole-4-carboxamide
CID 113465689
N-(5-amino-5-oxopentyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 106235634
N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 125118838
N-[3-[cyclohexyl(methyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119851112
1-piperidin-4-yl-N-(2-thiomorpholin-4-ylethyl)triazole-4-carboxamide
CID 119853614

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-cyclohexylacetyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[2-[(2-cyclohexylacetyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide (CID 119766778) is N-[2-[(2-cyclohexylacetyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[2-[(2-cyclohexylacetyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[2-[(2-cyclohexylacetyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide is O=C(CC1CCCCC1)NCCNC(=O)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-[2-[(2-cyclohexylacetyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is XNTPRWXEANREEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O2/c25-17(12-14-4-2-1-3-5-14)20-10-11-21-18(26)16-13-24(23-22-16)15-6-8-19-9-7-15/h13-15,19H,1-12H2,(H,20,25)(H,21,26).
What are the key properties of N-[2-[(2-cyclohexylacetyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide?
N-[2-[(2-cyclohexylacetyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 362.48 g/mol, XLogP of 1.02, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-cyclohexylacetyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119766778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).