1-piperidin-4-yl-N-prop-2-ynyltriazole-4-carboxamide

C11H15N5O — CID 63283381

IUPAC1-piperidin-4-yl-N-prop-2-ynyltriazole-4-carboxamide
SMILESC#CCNC(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C11H15N5O/c1-2-5-13-11(17)10-8-16(15-14-10)9-3-6-12-7-4-9/h1,8-9,12H,3-7H2,(H,13,17)
InChIKeyQUNHRIIPRLJFNE-UHFFFAOYSA-N
MW233.27 g/mol
LogP-0.43
Rot. Bonds3

About 1-piperidin-4-yl-N-prop-2-ynyltriazole-4-carboxamide

1-piperidin-4-yl-N-prop-2-ynyltriazole-4-carboxamide (PubChem CID 63283381) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-piperidin-4-yl-N-prop-2-ynyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-piperidin-4-yl-N-prop-2-ynyltriazole-4-carboxamide
PubChem CID63283381
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name1-piperidin-4-yl-N-prop-2-ynyltriazole-4-carboxamide
SMILESC#CCNC(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C11H15N5O/c1-2-5-13-11(17)10-8-16(15-14-10)9-3-6-12-7-4-9/h1,8-9,12H,3-7H2,(H,13,17)
InChIKeyQUNHRIIPRLJFNE-UHFFFAOYSA-N
XLogP-0.43
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283122
N-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63283255
N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673779
N-[3-(dipropylamino)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119861207
N-[[1-(dimethylamino)cyclopentyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119830076
N-(cyclobutylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119724139
N-(6-hydroxyhexyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 107842557
N-(3-hydroxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75373004
ethyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283121
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
N-(cyclohexylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672522

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-N-prop-2-ynyltriazole-4-carboxamide?
The IUPAC name of 1-piperidin-4-yl-N-prop-2-ynyltriazole-4-carboxamide (CID 63283381) is 1-piperidin-4-yl-N-prop-2-ynyltriazole-4-carboxamide.
What is the SMILES notation for 1-piperidin-4-yl-N-prop-2-ynyltriazole-4-carboxamide?
The canonical SMILES for 1-piperidin-4-yl-N-prop-2-ynyltriazole-4-carboxamide is C#CCNC(=O)c1cn(C2CCNCC2)nn1.
What is the InChIKey of 1-piperidin-4-yl-N-prop-2-ynyltriazole-4-carboxamide?
The InChIKey is QUNHRIIPRLJFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-2-5-13-11(17)10-8-16(15-14-10)9-3-6-12-7-4-9/h1,8-9,12H,3-7H2,(H,13,17).
What are the key properties of 1-piperidin-4-yl-N-prop-2-ynyltriazole-4-carboxamide?
1-piperidin-4-yl-N-prop-2-ynyltriazole-4-carboxamide has a molecular weight of 233.27 g/mol, XLogP of -0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-N-prop-2-ynyltriazole-4-carboxamide is sourced from PubChem (CID 63283381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).