N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide

C17H25N5O2 — CID 72912775

IUPACN-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide
SMILESCCn1ncnc1C(C)NC(=O)C1CCN(Cc2ccco2)CC1
InChIInChI=1S/C17H25N5O2/c1-3-22-16(18-12-19-22)13(2)20-17(23)14-6-8-21(9-7-14)11-15-5-4-10-24-15/h4-5,10,12-14H,3,6-9,11H2,1-2H3,(H,20,23)
InChIKeyJSUCROAALALSMB-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.98
Rot. Bonds6

About N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide

N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 72912775) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide
PubChem CID72912775
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC NameN-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide
SMILESCCn1ncnc1C(C)NC(=O)C1CCN(Cc2ccco2)CC1
InChIInChI=1S/C17H25N5O2/c1-3-22-16(18-12-19-22)13(2)20-17(23)14-6-8-21(9-7-14)11-15-5-4-10-24-15/h4-5,10,12-14H,3,6-9,11H2,1-2H3,(H,20,23)
InChIKeyJSUCROAALALSMB-UHFFFAOYSA-N
XLogP1.98
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide (CID 72912775) is N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide is CCn1ncnc1C(C)NC(=O)C1CCN(Cc2ccco2)CC1.
What is the InChIKey of N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is JSUCROAALALSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-3-22-16(18-12-19-22)13(2)20-17(23)14-6-8-21(9-7-14)11-15-5-4-10-24-15/h4-5,10,12-14H,3,6-9,11H2,1-2H3,(H,20,23).
What are the key properties of N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide?
N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 72912775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).