N-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide

C12H20N6O2 — CID 63283255

IUPACN-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESCC(=O)NCCNC(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C12H20N6O2/c1-9(19)14-6-7-15-12(20)11-8-18(17-16-11)10-2-4-13-5-3-10/h8,10,13H,2-7H2,1H3,(H,14,19)(H,15,20)
InChIKeyCCAYHAFOHVLKJZ-UHFFFAOYSA-N
MW280.33 g/mol
LogP-0.93
Rot. Bonds5

About N-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide

N-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 63283255) has the molecular formula C12H20N6O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID63283255
Molecular FormulaC12H20N6O2
Molecular Weight280.33 g/mol
Exact Mass280.16
IUPAC NameN-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESCC(=O)NCCNC(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C12H20N6O2/c1-9(19)14-6-7-15-12(20)11-8-18(17-16-11)10-2-4-13-5-3-10/h8,10,13H,2-7H2,1H3,(H,14,19)(H,15,20)
InChIKeyCCAYHAFOHVLKJZ-UHFFFAOYSA-N
XLogP-0.93
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.93
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-(6-hydroxyhexyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 107842557
N-[2-(cycloheptylamino)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 122080776
N-(3-hydroxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75373004
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
1-piperidin-4-yl-N-prop-2-ynyltriazole-4-carboxamide
CID 63283381
methyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283122
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-[2-[cyclopropyl(methyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119863842
N-[3-(dipropylamino)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119861207
N-[2-[(2-cyclohexylacetyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119766778

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide (CID 63283255) is N-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide is CC(=O)NCCNC(=O)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is CCAYHAFOHVLKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O2/c1-9(19)14-6-7-15-12(20)11-8-18(17-16-11)10-2-4-13-5-3-10/h8,10,13H,2-7H2,1H3,(H,14,19)(H,15,20).
What are the key properties of N-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide?
N-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 280.33 g/mol, XLogP of -0.93, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 63283255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).