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

C18H27N5O2 — CID 95189176

IUPACN-(furan-2-ylmethyl)-N-(2-methylpropyl)-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide
SMILESCC(C)CN(Cc1ccco1)C(=O)c1cn(C[C@H]2CCCNC2)nn1
InChIInChI=1S/C18H27N5O2/c1-14(2)10-22(12-16-6-4-8-25-16)18(24)17-13-23(21-20-17)11-15-5-3-7-19-9-15/h4,6,8,13-15,19H,3,5,7,9-12H2,1-2H3/t15-/m0/s1
InChIKeyAEWXLJBCWPNNPF-HNNXBMFYSA-N
MW345.45 g/mol
LogP2.17
Rot. Bonds7

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

N-(furan-2-ylmethyl)-N-(2-methylpropyl)-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide (PubChem CID 95189176) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-(2-methylpropyl)-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-(2-methylpropyl)-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide
PubChem CID95189176
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC NameN-(furan-2-ylmethyl)-N-(2-methylpropyl)-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide
SMILESCC(C)CN(Cc1ccco1)C(=O)c1cn(C[C@H]2CCCNC2)nn1
InChIInChI=1S/C18H27N5O2/c1-14(2)10-22(12-16-6-4-8-25-16)18(24)17-13-23(21-20-17)11-15-5-3-7-19-9-15/h4,6,8,13-15,19H,3,5,7,9-12H2,1-2H3/t15-/m0/s1
InChIKeyAEWXLJBCWPNNPF-HNNXBMFYSA-N
XLogP2.17
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxyethyl)-N-[(2-methylphenyl)methyl]-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide
CID 95211615
N-methyl-1-[[(3R)-piperidin-3-yl]methyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide
CID 95122940
1-(piperidin-3-ylmethyl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxamide
CID 50949291
N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide
CID 50980745
N-methyl-1-[[(3S)-piperidin-3-yl]methyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)triazole-4-carboxamide
CID 95119667
N-methyl-1-[[(3R)-piperidin-3-yl]methyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)triazole-4-carboxamide
CID 95119666
N-(2-indol-1-ylethyl)-N-methyl-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide
CID 95123127
N-(3-phenylsulfanylpropyl)-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide
CID 99959733
N-[2-[methyl(methylsulfonyl)amino]ethyl]-1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carboxamide
CID 95205588
N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide
CID 56713630
N-[(4-phenyloxan-4-yl)methyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide
CID 118792392
1-(piperidin-3-ylmethyl)-N-(2-pyridin-3-ylethyl)triazole-4-carboxamide
CID 50973548

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-(2-methylpropyl)-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-(2-methylpropyl)-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide (CID 95189176) is N-(furan-2-ylmethyl)-N-(2-methylpropyl)-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-(2-methylpropyl)-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-(2-methylpropyl)-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide is CC(C)CN(Cc1ccco1)C(=O)c1cn(C[C@H]2CCCNC2)nn1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-(2-methylpropyl)-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide?
The InChIKey is AEWXLJBCWPNNPF-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-14(2)10-22(12-16-6-4-8-25-16)18(24)17-13-23(21-20-17)11-15-5-3-7-19-9-15/h4,6,8,13-15,19H,3,5,7,9-12H2,1-2H3/t15-/m0/s1.
What are the key properties of N-(furan-2-ylmethyl)-N-(2-methylpropyl)-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide?
N-(furan-2-ylmethyl)-N-(2-methylpropyl)-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-(2-methylpropyl)-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 95189176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).