N-(thiophen-2-ylmethyl)-4-(triazol-2-yl)piperidine-1-carboxamide

C13H17N5OS — CID 121165125

IUPACN-(thiophen-2-ylmethyl)-4-(triazol-2-yl)piperidine-1-carboxamide
SMILESO=C(NCc1cccs1)N1CCC(n2nccn2)CC1
InChIInChI=1S/C13H17N5OS/c19-13(14-10-12-2-1-9-20-12)17-7-3-11(4-8-17)18-15-5-6-16-18/h1-2,5-6,9,11H,3-4,7-8,10H2,(H,14,19)
InChIKeyDIWQTJQCICRRIH-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.89
Rot. Bonds3

About N-(thiophen-2-ylmethyl)-4-(triazol-2-yl)piperidine-1-carboxamide

N-(thiophen-2-ylmethyl)-4-(triazol-2-yl)piperidine-1-carboxamide (PubChem CID 121165125) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-4-(triazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-4-(triazol-2-yl)piperidine-1-carboxamide
PubChem CID121165125
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC NameN-(thiophen-2-ylmethyl)-4-(triazol-2-yl)piperidine-1-carboxamide
SMILESO=C(NCc1cccs1)N1CCC(n2nccn2)CC1
InChIInChI=1S/C13H17N5OS/c19-13(14-10-12-2-1-9-20-12)17-7-3-11(4-8-17)18-15-5-6-16-18/h1-2,5-6,9,11H,3-4,7-8,10H2,(H,14,19)
InChIKeyDIWQTJQCICRRIH-UHFFFAOYSA-N
XLogP1.89
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-phenyl-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide
CID 51895132
ethyl 1-(thiophen-2-ylmethylcarbamoyl)piperidine-4-carboxylate
CID 47125519
4-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 97039665
4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 126446363
4-[(3-chloro-2-pyridinyl)oxy]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 71798885
4-[(3-bromo-2-pyridinyl)oxy]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 71799517
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 118712627
N-(1,3-benzodioxol-5-ylmethyl)-4-(triazol-2-yl)piperidine-1-carboxamide
CID 121165135
4-(2-methylpyrazole-3-carbonyl)-N-(thiophen-2-ylmethyl)-1,4-diazepane-1-carboxamide
CID 138378141
4-(1-methylimidazol-2-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 121152261
3-(hydroxymethyl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 134056824
4-(2-cyclopropyl-2-hydroxyethyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 71783426

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-4-(triazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of N-(thiophen-2-ylmethyl)-4-(triazol-2-yl)piperidine-1-carboxamide (CID 121165125) is N-(thiophen-2-ylmethyl)-4-(triazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-4-(triazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(thiophen-2-ylmethyl)-4-(triazol-2-yl)piperidine-1-carboxamide is O=C(NCc1cccs1)N1CCC(n2nccn2)CC1.
What is the InChIKey of N-(thiophen-2-ylmethyl)-4-(triazol-2-yl)piperidine-1-carboxamide?
The InChIKey is DIWQTJQCICRRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c19-13(14-10-12-2-1-9-20-12)17-7-3-11(4-8-17)18-15-5-6-16-18/h1-2,5-6,9,11H,3-4,7-8,10H2,(H,14,19).
What are the key properties of N-(thiophen-2-ylmethyl)-4-(triazol-2-yl)piperidine-1-carboxamide?
N-(thiophen-2-ylmethyl)-4-(triazol-2-yl)piperidine-1-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)-4-(triazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 121165125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).