(3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide

C14H19N5OS — CID 94172075

IUPAC(3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
SMILESCn1cnnc1[C@@H]1CCCN(C(=O)NCc2cccs2)C1
InChIInChI=1S/C14H19N5OS/c1-18-10-16-17-13(18)11-4-2-6-19(9-11)14(20)15-8-12-5-3-7-21-12/h3,5,7,10-11H,2,4,6,8-9H2,1H3,(H,15,20)/t11-/m1/s1
InChIKeyAIWXZZYXRZKPHT-LLVKDONJSA-N
MW305.41 g/mol
LogP1.97
Rot. Bonds3

About (3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide

(3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide (PubChem CID 94172075) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is (3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
PubChem CID94172075
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name(3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
SMILESCn1cnnc1[C@@H]1CCCN(C(=O)NCc2cccs2)C1
InChIInChI=1S/C14H19N5OS/c1-18-10-16-17-13(18)11-4-2-6-19(9-11)14(20)15-8-12-5-3-7-21-12/h3,5,7,10-11H,2,4,6,8-9H2,1H3,(H,15,20)/t11-/m1/s1
InChIKeyAIWXZZYXRZKPHT-LLVKDONJSA-N
XLogP1.97
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide with MolForge

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Related Compounds

N-[(1S)-3-[(1R,5S)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-thiophen-2-ylpropyl]acetamide
CID 122668134
US10167299, Example 2
CID 118219301
US10167299, Example 4
CID 122668226
US10167299, Example 17
CID 122668227
US10167299, Example 15
CID 122668256
2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 2603049
2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 25676519
N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 40034917
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 45803877
N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 47048816
1-[(4-Ethyl-1,2,4-triazol-3-yl)methyl]-3-(1-thiophen-2-ylethyl)urea
CID 47220467
3-[(4-Ethyl-1,2,4-triazol-3-yl)methyl]-1-methyl-1-(1-thiophen-2-ylethyl)urea
CID 47253181

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide (CID 94172075) is (3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide is Cn1cnnc1[C@@H]1CCCN(C(=O)NCc2cccs2)C1.
What is the InChIKey of (3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide?
The InChIKey is AIWXZZYXRZKPHT-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-18-10-16-17-13(18)11-4-2-6-19(9-11)14(20)15-8-12-5-3-7-21-12/h3,5,7,10-11H,2,4,6,8-9H2,1H3,(H,15,20)/t11-/m1/s1.
What are the key properties of (3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide?
(3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide has a molecular weight of 305.41 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 94172075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).