N-ethyl-1-(thiophen-2-ylmethyl)-N-(1H-1,2,4-triazol-5-yl)piperidine-4-carboxamide

C15H21N5OS — CID 68769059

IUPACN-ethyl-1-(thiophen-2-ylmethyl)-N-(1H-1,2,4-triazol-5-yl)piperidine-4-carboxamide
SMILESCCN(C(=O)C1CCN(Cc2cccs2)CC1)c1ncn[nH]1
InChIInChI=1S/C15H21N5OS/c1-2-20(15-16-11-17-18-15)14(21)12-5-7-19(8-6-12)10-13-4-3-9-22-13/h3-4,9,11-12H,2,5-8,10H2,1H3,(H,16,17,18)
InChIKeyNSXKLRMFFZMOOJ-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.13
Rot. Bonds5

About N-ethyl-1-(thiophen-2-ylmethyl)-N-(1H-1,2,4-triazol-5-yl)piperidine-4-carboxamide

N-ethyl-1-(thiophen-2-ylmethyl)-N-(1H-1,2,4-triazol-5-yl)piperidine-4-carboxamide (PubChem CID 68769059) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is N-ethyl-1-(thiophen-2-ylmethyl)-N-(1H-1,2,4-triazol-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(thiophen-2-ylmethyl)-N-(1H-1,2,4-triazol-5-yl)piperidine-4-carboxamide
PubChem CID68769059
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC NameN-ethyl-1-(thiophen-2-ylmethyl)-N-(1H-1,2,4-triazol-5-yl)piperidine-4-carboxamide
SMILESCCN(C(=O)C1CCN(Cc2cccs2)CC1)c1ncn[nH]1
InChIInChI=1S/C15H21N5OS/c1-2-20(15-16-11-17-18-15)14(21)12-5-7-19(8-6-12)10-13-4-3-9-22-13/h3-4,9,11-12H,2,5-8,10H2,1H3,(H,16,17,18)
InChIKeyNSXKLRMFFZMOOJ-UHFFFAOYSA-N
XLogP2.13
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(thiophen-2-ylmethyl)-N-(1H-1,2,4-triazol-5-yl)piperidine-4-carboxamide?
The IUPAC name of N-ethyl-1-(thiophen-2-ylmethyl)-N-(1H-1,2,4-triazol-5-yl)piperidine-4-carboxamide (CID 68769059) is N-ethyl-1-(thiophen-2-ylmethyl)-N-(1H-1,2,4-triazol-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-ethyl-1-(thiophen-2-ylmethyl)-N-(1H-1,2,4-triazol-5-yl)piperidine-4-carboxamide?
The canonical SMILES for N-ethyl-1-(thiophen-2-ylmethyl)-N-(1H-1,2,4-triazol-5-yl)piperidine-4-carboxamide is CCN(C(=O)C1CCN(Cc2cccs2)CC1)c1ncn[nH]1.
What is the InChIKey of N-ethyl-1-(thiophen-2-ylmethyl)-N-(1H-1,2,4-triazol-5-yl)piperidine-4-carboxamide?
The InChIKey is NSXKLRMFFZMOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-2-20(15-16-11-17-18-15)14(21)12-5-7-19(8-6-12)10-13-4-3-9-22-13/h3-4,9,11-12H,2,5-8,10H2,1H3,(H,16,17,18).
What are the key properties of N-ethyl-1-(thiophen-2-ylmethyl)-N-(1H-1,2,4-triazol-5-yl)piperidine-4-carboxamide?
N-ethyl-1-(thiophen-2-ylmethyl)-N-(1H-1,2,4-triazol-5-yl)piperidine-4-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(thiophen-2-ylmethyl)-N-(1H-1,2,4-triazol-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 68769059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).