N-propan-2-yl-1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]triazole-4-carboxamide

C16H23N5OS — CID 26324564

IUPACN-propan-2-yl-1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]triazole-4-carboxamide
SMILESCC(C)NC(=O)c1cn(C2CCN(Cc3ccsc3)CC2)nn1
InChIInChI=1S/C16H23N5OS/c1-12(2)17-16(22)15-10-21(19-18-15)14-3-6-20(7-4-14)9-13-5-8-23-11-13/h5,8,10-12,14H,3-4,6-7,9H2,1-2H3,(H,17,22)
InChIKeyUJNJGQLPOIQYNR-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.31
Rot. Bonds5

About N-propan-2-yl-1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]triazole-4-carboxamide

N-propan-2-yl-1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]triazole-4-carboxamide (PubChem CID 26324564) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is N-propan-2-yl-1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]triazole-4-carboxamide
PubChem CID26324564
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC NameN-propan-2-yl-1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]triazole-4-carboxamide
SMILESCC(C)NC(=O)c1cn(C2CCN(Cc3ccsc3)CC2)nn1
InChIInChI=1S/C16H23N5OS/c1-12(2)17-16(22)15-10-21(19-18-15)14-3-6-20(7-4-14)9-13-5-8-23-11-13/h5,8,10-12,14H,3-4,6-7,9H2,1-2H3,(H,17,22)
InChIKeyUJNJGQLPOIQYNR-UHFFFAOYSA-N
XLogP2.31
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(4-butyl-1H-1,2,3-triazol-1-yl)methyl]-1-(3-thienylcarbonyl)piperidine
CID 46996901
"5-methyl-N-[(1R,5S)-8-(3-thienylcarbonyl)-8-azabicyclo[3.2.1]oct-3-yl]-2-pyrazinecarboxamide"
CID 91912220
1-[2-(diethylamino)-2-oxoethyl]-N-(3-thienylmethyl)-1H-1,2,3-triazole-4-carboxamide
CID 42404427
1-(cis-4-aminocyclohexyl)-N-[(3-methyl-2-thienyl)methyl]-1H-1,2,3-triazole-4-carboxamide
CID 70787719
N-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1-methyltriazole-4-carboxamide
CID 100690813
[(2S)-2-methylpiperazin-1-yl]-[1-(thiophen-2-ylmethyl)triazol-4-yl]methanone
CID 120109225
N-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide
CID 164631873
[2-(3-Fluorophenyl)piperazin-1-yl]-[1-(thiophen-2-ylmethyl)triazol-4-yl]methanone
CID 120737208
1-(thiophen-2-ylmethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)triazole-4-carboxamide;hydrochloride
CID 120813198
1-(thiophen-2-ylmethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)triazole-4-carboxamide
CID 120813199
1-{[(2S,4S)-4-Fluoro-1-(3-thienylcarbonyl)tetrahydro-1H-pyrrol-2-YL]methyl}-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide
CID 137901864
((2S,4S)-4-Fluoro-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-YL]methyl}tetrahydro-1H-pyrrol-1-YL)(3-thienyl)methanone
CID 137901899

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]triazole-4-carboxamide?
The IUPAC name of N-propan-2-yl-1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]triazole-4-carboxamide (CID 26324564) is N-propan-2-yl-1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]triazole-4-carboxamide.
What is the SMILES notation for N-propan-2-yl-1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]triazole-4-carboxamide?
The canonical SMILES for N-propan-2-yl-1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]triazole-4-carboxamide is CC(C)NC(=O)c1cn(C2CCN(Cc3ccsc3)CC2)nn1.
What is the InChIKey of N-propan-2-yl-1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]triazole-4-carboxamide?
The InChIKey is UJNJGQLPOIQYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-12(2)17-16(22)15-10-21(19-18-15)14-3-6-20(7-4-14)9-13-5-8-23-11-13/h5,8,10-12,14H,3-4,6-7,9H2,1-2H3,(H,17,22).
What are the key properties of N-propan-2-yl-1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]triazole-4-carboxamide?
N-propan-2-yl-1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]triazole-4-carboxamide has a molecular weight of 333.46 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]triazole-4-carboxamide is sourced from PubChem (CID 26324564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).