1-[(3R)-piperidin-3-yl]-N-(2-thiophen-3-ylethyl)-1,2,4-triazole-3-carboxamide

C14H19N5OS — CID 129489835

IUPAC1-[(3R)-piperidin-3-yl]-N-(2-thiophen-3-ylethyl)-1,2,4-triazole-3-carboxamide
SMILESO=C(NCCc1ccsc1)c1ncn([C@@H]2CCCNC2)n1
InChIInChI=1S/C14H19N5OS/c20-14(16-6-3-11-4-7-21-9-11)13-17-10-19(18-13)12-2-1-5-15-8-12/h4,7,9-10,12,15H,1-3,5-6,8H2,(H,16,20)/t12-/m1/s1
InChIKeyBWEOSJPWUIEMHP-GFCCVEGCSA-N
MW305.41 g/mol
LogP1.24
Rot. Bonds5

About 1-[(3R)-piperidin-3-yl]-N-(2-thiophen-3-ylethyl)-1,2,4-triazole-3-carboxamide

1-[(3R)-piperidin-3-yl]-N-(2-thiophen-3-ylethyl)-1,2,4-triazole-3-carboxamide (PubChem CID 129489835) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 1-[(3R)-piperidin-3-yl]-N-(2-thiophen-3-ylethyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-[(3R)-piperidin-3-yl]-N-(2-thiophen-3-ylethyl)-1,2,4-triazole-3-carboxamide
PubChem CID129489835
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name1-[(3R)-piperidin-3-yl]-N-(2-thiophen-3-ylethyl)-1,2,4-triazole-3-carboxamide
SMILESO=C(NCCc1ccsc1)c1ncn([C@@H]2CCCNC2)n1
InChIInChI=1S/C14H19N5OS/c20-14(16-6-3-11-4-7-21-9-11)13-17-10-19(18-13)12-2-1-5-15-8-12/h4,7,9-10,12,15H,1-3,5-6,8H2,(H,16,20)/t12-/m1/s1
InChIKeyBWEOSJPWUIEMHP-GFCCVEGCSA-N
XLogP1.24
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(3R)-piperidin-3-yl]-N-(2-thiophen-3-ylethyl)-1,2,4-triazole-3-carboxamide with MolForge

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Related Compounds

1-[(3S)-piperidin-3-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-triazole-3-carboxamide
CID 129466028
1-[(3R)-piperidin-3-yl]-N-[(2R)-2-thiophen-3-ylpropyl]-1,2,4-triazole-3-carboxamide
CID 129488911
1-piperidin-3-yl-N-(thiophen-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride
CID 128997121
(3R)-N-(2-thiophen-3-ylethyl)piperidine-3-carboxamide
CID 81140487
1-piperidin-3-yl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 128995991
1-(azetidin-3-yl)-N-(2-thiophen-3-ylethyl)triazole-4-carboxamide
CID 79316779
N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-1-[(3S)-piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 129489919
(2S)-N-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxamide
CID 61474678
N-(2-thiophen-3-ylethyl)pyrimidine-2-carboxamide
CID 170939358
1-piperidin-3-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide;hydrochloride
CID 129001736
methyl 1-piperidin-3-yl-1,2,4-triazole-3-carboxylate
CID 163353124
N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 71645364

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-piperidin-3-yl]-N-(2-thiophen-3-ylethyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-[(3R)-piperidin-3-yl]-N-(2-thiophen-3-ylethyl)-1,2,4-triazole-3-carboxamide (CID 129489835) is 1-[(3R)-piperidin-3-yl]-N-(2-thiophen-3-ylethyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-[(3R)-piperidin-3-yl]-N-(2-thiophen-3-ylethyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-[(3R)-piperidin-3-yl]-N-(2-thiophen-3-ylethyl)-1,2,4-triazole-3-carboxamide is O=C(NCCc1ccsc1)c1ncn([C@@H]2CCCNC2)n1.
What is the InChIKey of 1-[(3R)-piperidin-3-yl]-N-(2-thiophen-3-ylethyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is BWEOSJPWUIEMHP-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19N5OS/c20-14(16-6-3-11-4-7-21-9-11)13-17-10-19(18-13)12-2-1-5-15-8-12/h4,7,9-10,12,15H,1-3,5-6,8H2,(H,16,20)/t12-/m1/s1.
What are the key properties of 1-[(3R)-piperidin-3-yl]-N-(2-thiophen-3-ylethyl)-1,2,4-triazole-3-carboxamide?
1-[(3R)-piperidin-3-yl]-N-(2-thiophen-3-ylethyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 305.41 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-piperidin-3-yl]-N-(2-thiophen-3-ylethyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 129489835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).