4-[[4-(methoxymethyl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide

C15H21N5O2S — CID 31126037

IUPAC4-[[4-(methoxymethyl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide
SMILESCOCc1cn(CC2CCN(C(=O)Nc3ccsc3)CC2)nn1
InChIInChI=1S/C15H21N5O2S/c1-22-10-14-9-20(18-17-14)8-12-2-5-19(6-3-12)15(21)16-13-4-7-23-11-13/h4,7,9,11-12H,2-3,5-6,8,10H2,1H3,(H,16,21)
InChIKeyRFDDAOKFBXXUOO-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.43
Rot. Bonds5

About 4-[[4-(methoxymethyl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide

4-[[4-(methoxymethyl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide (PubChem CID 31126037) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 4-[[4-(methoxymethyl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[4-(methoxymethyl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide
PubChem CID31126037
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name4-[[4-(methoxymethyl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide
SMILESCOCc1cn(CC2CCN(C(=O)Nc3ccsc3)CC2)nn1
InChIInChI=1S/C15H21N5O2S/c1-22-10-14-9-20(18-17-14)8-12-2-5-19(6-3-12)15(21)16-13-4-7-23-11-13/h4,7,9,11-12H,2-3,5-6,8,10H2,1H3,(H,16,21)
InChIKeyRFDDAOKFBXXUOO-UHFFFAOYSA-N
XLogP2.43
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[4-(methoxymethyl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-{[4-(1-amino-1-ethylpropyl)-1H-1,2,3-triazol-1-yl]methyl}-N-3-thienyl-1-piperidinecarboxamide
CID 45221934
4-[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]-N-3-thienyl-1-piperidinecarboxamide
CID 31074901
3-{[4-(2-hydroxyethyl)-1H-1,2,3-triazol-1-yl]methyl}-N-3-thienyl-1-piperidinecarboxamide
CID 45197790
(3R)-3-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide
CID 30937224
(3S)-3-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide
CID 30937227
(3R)-3-[[4-(3-aminopentan-3-yl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide
CID 31074162
(3S)-3-[[4-(3-aminopentan-3-yl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide
CID 31074166
1-[(1S,2R)-2-[4-(hydroxymethyl)triazol-1-yl]cyclohexyl]-3-thiophen-3-ylurea
CID 128996678
3-[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]-N-(thiophen-2-yl)pyrrolidine-1-carboxamide
CID 132451473

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(methoxymethyl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide?
The IUPAC name of 4-[[4-(methoxymethyl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide (CID 31126037) is 4-[[4-(methoxymethyl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[[4-(methoxymethyl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-[[4-(methoxymethyl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide is COCc1cn(CC2CCN(C(=O)Nc3ccsc3)CC2)nn1.
What is the InChIKey of 4-[[4-(methoxymethyl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide?
The InChIKey is RFDDAOKFBXXUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-22-10-14-9-20(18-17-14)8-12-2-5-19(6-3-12)15(21)16-13-4-7-23-11-13/h4,7,9,11-12H,2-3,5-6,8,10H2,1H3,(H,16,21).
What are the key properties of 4-[[4-(methoxymethyl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide?
4-[[4-(methoxymethyl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(methoxymethyl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide is sourced from PubChem (CID 31126037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).