N-but-3-enyl-1-piperidin-4-yltriazole-4-carboxamide

C12H19N5O — CID 113465689

IUPACN-but-3-enyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESC=CCCNC(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C12H19N5O/c1-2-3-6-14-12(18)11-9-17(16-15-11)10-4-7-13-8-5-10/h2,9-10,13H,1,3-8H2,(H,14,18)
InChIKeyVJTHQCXWWPAZTH-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.51
Rot. Bonds5

About N-but-3-enyl-1-piperidin-4-yltriazole-4-carboxamide

N-but-3-enyl-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 113465689) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is N-but-3-enyl-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-but-3-enyl-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID113465689
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC NameN-but-3-enyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESC=CCCNC(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C12H19N5O/c1-2-3-6-14-12(18)11-9-17(16-15-11)10-4-7-13-8-5-10/h2,9-10,13H,1,3-8H2,(H,14,18)
InChIKeyVJTHQCXWWPAZTH-UHFFFAOYSA-N
XLogP0.51
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63283255
N-(6-hydroxyhexyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 107842557
N-(5-amino-5-oxopentyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 106235634
N-(2-cyclohexylethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119725715
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-[2-(cyclopenten-1-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 106175162
1-piperidin-4-yl-N-[2-(trifluoromethylsulfanyl)ethyl]triazole-4-carboxamide;hydrochloride
CID 119727706
1-piperidin-4-yl-N-(2-thiomorpholin-4-ylethyl)triazole-4-carboxamide
CID 119853614
1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)triazole-4-carboxamide;dihydrochloride
CID 119835561
1-piperidin-4-yl-N-prop-2-ynyltriazole-4-carboxamide
CID 63283381
methyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283122

Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-but-3-enyl-1-piperidin-4-yltriazole-4-carboxamide (CID 113465689) is N-but-3-enyl-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-but-3-enyl-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-but-3-enyl-1-piperidin-4-yltriazole-4-carboxamide is C=CCCNC(=O)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-but-3-enyl-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is VJTHQCXWWPAZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-2-3-6-14-12(18)11-9-17(16-15-11)10-4-7-13-8-5-10/h2,9-10,13H,1,3-8H2,(H,14,18).
What are the key properties of N-but-3-enyl-1-piperidin-4-yltriazole-4-carboxamide?
N-but-3-enyl-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 249.32 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 113465689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).