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

C14H19N5O2S — CID 31074901

IUPAC4-[4-(methoxymethyl)triazol-1-yl]-N-thiophen-3-ylpiperidine-1-carboxamide
SMILESCOCc1cn(C2CCN(C(=O)Nc3ccsc3)CC2)nn1
InChIInChI=1S/C14H19N5O2S/c1-21-9-12-8-19(17-16-12)13-2-5-18(6-3-13)14(20)15-11-4-7-22-10-11/h4,7-8,10,13H,2-3,5-6,9H2,1H3,(H,15,20)
InChIKeyYHBAHEZSPVEYQP-UHFFFAOYSA-N
MW321.41 g/mol
LogP2.36
Rot. Bonds4

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

4-[4-(methoxymethyl)triazol-1-yl]-N-thiophen-3-ylpiperidine-1-carboxamide (PubChem CID 31074901) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is 4-[4-(methoxymethyl)triazol-1-yl]-N-thiophen-3-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(methoxymethyl)triazol-1-yl]-N-thiophen-3-ylpiperidine-1-carboxamide
PubChem CID31074901
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Name4-[4-(methoxymethyl)triazol-1-yl]-N-thiophen-3-ylpiperidine-1-carboxamide
SMILESCOCc1cn(C2CCN(C(=O)Nc3ccsc3)CC2)nn1
InChIInChI=1S/C14H19N5O2S/c1-21-9-12-8-19(17-16-12)13-2-5-18(6-3-13)14(20)15-11-4-7-22-10-11/h4,7-8,10,13H,2-3,5-6,9H2,1H3,(H,15,20)
InChIKeyYHBAHEZSPVEYQP-UHFFFAOYSA-N
XLogP2.36
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(methoxymethyl)triazol-1-yl]-N-thiophen-3-ylpiperidine-1-carboxamide?
The IUPAC name of 4-[4-(methoxymethyl)triazol-1-yl]-N-thiophen-3-ylpiperidine-1-carboxamide (CID 31074901) is 4-[4-(methoxymethyl)triazol-1-yl]-N-thiophen-3-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[4-(methoxymethyl)triazol-1-yl]-N-thiophen-3-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-[4-(methoxymethyl)triazol-1-yl]-N-thiophen-3-ylpiperidine-1-carboxamide is COCc1cn(C2CCN(C(=O)Nc3ccsc3)CC2)nn1.
What is the InChIKey of 4-[4-(methoxymethyl)triazol-1-yl]-N-thiophen-3-ylpiperidine-1-carboxamide?
The InChIKey is YHBAHEZSPVEYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-21-9-12-8-19(17-16-12)13-2-5-18(6-3-13)14(20)15-11-4-7-22-10-11/h4,7-8,10,13H,2-3,5-6,9H2,1H3,(H,15,20).
What are the key properties of 4-[4-(methoxymethyl)triazol-1-yl]-N-thiophen-3-ylpiperidine-1-carboxamide?
4-[4-(methoxymethyl)triazol-1-yl]-N-thiophen-3-ylpiperidine-1-carboxamide has a molecular weight of 321.41 g/mol, XLogP of 2.36, 4 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]-N-thiophen-3-ylpiperidine-1-carboxamide is sourced from PubChem (CID 31074901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).