N-(5-amino-5-oxopentyl)-1-piperidin-4-yltriazole-4-carboxamide

C13H22N6O2 — CID 106235634

IUPACN-(5-amino-5-oxopentyl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESNC(=O)CCCCNC(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C13H22N6O2/c14-12(20)3-1-2-6-16-13(21)11-9-19(18-17-11)10-4-7-15-8-5-10/h9-10,15H,1-8H2,(H2,14,20)(H,16,21)
InChIKeyXXYSUCFZIQFBQK-UHFFFAOYSA-N
MW294.36 g/mol
LogP-0.41
Rot. Bonds7

About N-(5-amino-5-oxopentyl)-1-piperidin-4-yltriazole-4-carboxamide

N-(5-amino-5-oxopentyl)-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 106235634) has the molecular formula C13H22N6O2 and a molecular weight of 294.36 g/mol. Its IUPAC name is N-(5-amino-5-oxopentyl)-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-amino-5-oxopentyl)-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID106235634
Molecular FormulaC13H22N6O2
Molecular Weight294.36 g/mol
Exact Mass294.18
IUPAC NameN-(5-amino-5-oxopentyl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESNC(=O)CCCCNC(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C13H22N6O2/c14-12(20)3-1-2-6-16-13(21)11-9-19(18-17-11)10-4-7-15-8-5-10/h9-10,15H,1-8H2,(H2,14,20)(H,16,21)
InChIKeyXXYSUCFZIQFBQK-UHFFFAOYSA-N
XLogP-0.41
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 5-0.41
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
ethyl 4-[(1-piperidin-4-yltriazole-4-carbonyl)amino]butanoate
CID 119726260
N-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63283255
1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)triazole-4-carboxamide;dihydrochloride
CID 119835561
N-[3-(dipropylamino)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119861207
N-[2-(cycloheptylamino)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 122080776
N-(3-hydroxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75373004
1-piperidin-4-yl-N-(3-propan-2-yloxypropyl)triazole-4-carboxamide
CID 63284386
N-but-3-enyl-1-piperidin-4-yltriazole-4-carboxamide
CID 113465689
N-[3-[cyclohexyl(methyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119851112
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

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-5-oxopentyl)-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-(5-amino-5-oxopentyl)-1-piperidin-4-yltriazole-4-carboxamide (CID 106235634) is N-(5-amino-5-oxopentyl)-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-(5-amino-5-oxopentyl)-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-(5-amino-5-oxopentyl)-1-piperidin-4-yltriazole-4-carboxamide is NC(=O)CCCCNC(=O)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-(5-amino-5-oxopentyl)-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is XXYSUCFZIQFBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O2/c14-12(20)3-1-2-6-16-13(21)11-9-19(18-17-11)10-4-7-15-8-5-10/h9-10,15H,1-8H2,(H2,14,20)(H,16,21).
What are the key properties of N-(5-amino-5-oxopentyl)-1-piperidin-4-yltriazole-4-carboxamide?
N-(5-amino-5-oxopentyl)-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 294.36 g/mol, XLogP of -0.41, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-5-oxopentyl)-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 106235634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).