N-(furan-2-ylmethyl)-4-[4-(methylaminomethyl)triazol-1-yl]piperidine-1-carboxamide

C15H22N6O2 — CID 29115248

IUPACN-(furan-2-ylmethyl)-4-[4-(methylaminomethyl)triazol-1-yl]piperidine-1-carboxamide
SMILESCNCc1cn(C2CCN(C(=O)NCc3ccco3)CC2)nn1
InChIInChI=1S/C15H22N6O2/c1-16-9-12-11-21(19-18-12)13-4-6-20(7-5-13)15(22)17-10-14-3-2-8-23-14/h2-3,8,11,13,16H,4-7,9-10H2,1H3,(H,17,22)
InChIKeyFVYHUWFIIIZVFZ-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.14
Rot. Bonds5

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

N-(furan-2-ylmethyl)-4-[4-(methylaminomethyl)triazol-1-yl]piperidine-1-carboxamide (PubChem CID 29115248) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-[4-(methylaminomethyl)triazol-1-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-[4-(methylaminomethyl)triazol-1-yl]piperidine-1-carboxamide
PubChem CID29115248
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC NameN-(furan-2-ylmethyl)-4-[4-(methylaminomethyl)triazol-1-yl]piperidine-1-carboxamide
SMILESCNCc1cn(C2CCN(C(=O)NCc3ccco3)CC2)nn1
InChIInChI=1S/C15H22N6O2/c1-16-9-12-11-21(19-18-12)13-4-6-20(7-5-13)15(22)17-10-14-3-2-8-23-14/h2-3,8,11,13,16H,4-7,9-10H2,1H3,(H,17,22)
InChIKeyFVYHUWFIIIZVFZ-UHFFFAOYSA-N
XLogP1.14
TPSA88.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-[4-(methylaminomethyl)triazol-1-yl]piperidine-1-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-[4-(methylaminomethyl)triazol-1-yl]piperidine-1-carboxamide (CID 29115248) is N-(furan-2-ylmethyl)-4-[4-(methylaminomethyl)triazol-1-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-[4-(methylaminomethyl)triazol-1-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-[4-(methylaminomethyl)triazol-1-yl]piperidine-1-carboxamide is CNCc1cn(C2CCN(C(=O)NCc3ccco3)CC2)nn1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-[4-(methylaminomethyl)triazol-1-yl]piperidine-1-carboxamide?
The InChIKey is FVYHUWFIIIZVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2/c1-16-9-12-11-21(19-18-12)13-4-6-20(7-5-13)15(22)17-10-14-3-2-8-23-14/h2-3,8,11,13,16H,4-7,9-10H2,1H3,(H,17,22).
What are the key properties of N-(furan-2-ylmethyl)-4-[4-(methylaminomethyl)triazol-1-yl]piperidine-1-carboxamide?
N-(furan-2-ylmethyl)-4-[4-(methylaminomethyl)triazol-1-yl]piperidine-1-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-[4-(methylaminomethyl)triazol-1-yl]piperidine-1-carboxamide is sourced from PubChem (CID 29115248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).