1-[1-(furan-3-ylmethyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide

C17H25N5O2 — CID 26341086

IUPAC1-[1-(furan-3-ylmethyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide
SMILESCC(C)CNC(=O)c1cn(C2CCN(Cc3ccoc3)CC2)nn1
InChIInChI=1S/C17H25N5O2/c1-13(2)9-18-17(23)16-11-22(20-19-16)15-3-6-21(7-4-15)10-14-5-8-24-12-14/h5,8,11-13,15H,3-4,6-7,9-10H2,1-2H3,(H,18,23)
InChIKeyVDANGGFVNYILJJ-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.09
Rot. Bonds6

About 1-[1-(furan-3-ylmethyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide

1-[1-(furan-3-ylmethyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide (PubChem CID 26341086) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-[1-(furan-3-ylmethyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-[1-(furan-3-ylmethyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide
PubChem CID26341086
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name1-[1-(furan-3-ylmethyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide
SMILESCC(C)CNC(=O)c1cn(C2CCN(Cc3ccoc3)CC2)nn1
InChIInChI=1S/C17H25N5O2/c1-13(2)9-18-17(23)16-11-22(20-19-16)15-3-6-21(7-4-15)10-14-5-8-24-12-14/h5,8,11-13,15H,3-4,6-7,9-10H2,1-2H3,(H,18,23)
InChIKeyVDANGGFVNYILJJ-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide
CID 26326480
1-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide
CID 42376514
N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673779
methyl 4-[[4-[4-(propan-2-ylcarbamoyl)triazol-1-yl]piperidin-1-yl]methyl]benzoate
CID 26352779
1-[4-(furan-2-carbonylamino)cyclohexyl]-N-(2-methylpropyl)triazole-4-carboxamide
CID 42348711
4-(4-cyclopropyltriazol-1-yl)-1-(furan-3-ylmethyl)piperidine
CID 31125414
1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide
CID 25306558
1-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-3-yl]-N-(2-methylpropyl)triazole-4-carboxamide
CID 45194554
1-[1-[3-(1,3-benzodioxol-5-yl)propanoyl]piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide
CID 26333271
1-[(3R)-1-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperidin-3-yl]-N-(2-methylpropyl)triazole-4-carboxamide
CID 42472948
N-(2-hydroxyethyl)-1-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide
CID 26404892
N-(2-methylpropyl)-1-[4-[[2-(1-methylpyrrol-3-yl)acetyl]amino]cyclohexyl]triazole-4-carboxamide
CID 28809465

Frequently Asked Questions

What is the IUPAC name of 1-[1-(furan-3-ylmethyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide?
The IUPAC name of 1-[1-(furan-3-ylmethyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide (CID 26341086) is 1-[1-(furan-3-ylmethyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide.
What is the SMILES notation for 1-[1-(furan-3-ylmethyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide?
The canonical SMILES for 1-[1-(furan-3-ylmethyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide is CC(C)CNC(=O)c1cn(C2CCN(Cc3ccoc3)CC2)nn1.
What is the InChIKey of 1-[1-(furan-3-ylmethyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide?
The InChIKey is VDANGGFVNYILJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-13(2)9-18-17(23)16-11-22(20-19-16)15-3-6-21(7-4-15)10-14-5-8-24-12-14/h5,8,11-13,15H,3-4,6-7,9-10H2,1-2H3,(H,18,23).
What are the key properties of 1-[1-(furan-3-ylmethyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide?
1-[1-(furan-3-ylmethyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(furan-3-ylmethyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide is sourced from PubChem (CID 26341086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).