1-piperidin-4-yl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)triazole-4-carboxamide

C16H21N5OS — CID 119689941

IUPAC1-piperidin-4-yl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)triazole-4-carboxamide
SMILESC=CCN(Cc1cccs1)C(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C16H21N5OS/c1-2-9-20(11-14-4-3-10-23-14)16(22)15-12-21(19-18-15)13-5-7-17-8-6-13/h2-4,10,12-13,17H,1,5-9,11H2
InChIKeyRDFQOWQAGCZJEH-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.09
Rot. Bonds6

About 1-piperidin-4-yl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)triazole-4-carboxamide

1-piperidin-4-yl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)triazole-4-carboxamide (PubChem CID 119689941) has the molecular formula C16H21N5OS and a molecular weight of 331.44 g/mol. Its IUPAC name is 1-piperidin-4-yl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-piperidin-4-yl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)triazole-4-carboxamide
PubChem CID119689941
Molecular FormulaC16H21N5OS
Molecular Weight331.44 g/mol
Exact Mass331.15
IUPAC Name1-piperidin-4-yl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)triazole-4-carboxamide
SMILESC=CCN(Cc1cccs1)C(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C16H21N5OS/c1-2-9-20(11-14-4-3-10-23-14)16(22)15-12-21(19-18-15)13-5-7-17-8-6-13/h2-4,10,12-13,17H,1,5-9,11H2
InChIKeyRDFQOWQAGCZJEH-UHFFFAOYSA-N
XLogP2.09
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenylethyl)-1-piperidin-4-yl-N-prop-2-enyltriazole-4-carboxamide
CID 119752331
1-piperidin-4-yl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide
CID 63283028
1-cyclohexyl-N,N-bis(prop-2-enyl)triazole-4-carboxamide
CID 42194943
N-prop-2-enyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119271491
N,N-diethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671423
1-piperidin-4-yl-N-(1-thiophen-2-ylpropan-2-yl)triazole-4-carboxamide
CID 119722713
N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119759570
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119690220
N-but-3-enyl-1-piperidin-4-yltriazole-4-carboxamide
CID 113465689
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119688580
N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119759142
1-piperidin-4-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]triazole-4-carboxamide;hydrochloride
CID 119698099

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)triazole-4-carboxamide?
The IUPAC name of 1-piperidin-4-yl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)triazole-4-carboxamide (CID 119689941) is 1-piperidin-4-yl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-piperidin-4-yl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for 1-piperidin-4-yl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)triazole-4-carboxamide is C=CCN(Cc1cccs1)C(=O)c1cn(C2CCNCC2)nn1.
What is the InChIKey of 1-piperidin-4-yl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)triazole-4-carboxamide?
The InChIKey is RDFQOWQAGCZJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c1-2-9-20(11-14-4-3-10-23-14)16(22)15-12-21(19-18-15)13-5-7-17-8-6-13/h2-4,10,12-13,17H,1,5-9,11H2.
What are the key properties of 1-piperidin-4-yl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)triazole-4-carboxamide?
1-piperidin-4-yl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)triazole-4-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 119689941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).