N,N-diethyl-1-[[1-(furan-3-ylmethyl)piperidin-3-yl]methyl]triazole-4-carboxamide

C18H27N5O2 — CID 45202777

IUPACN,N-diethyl-1-[[1-(furan-3-ylmethyl)piperidin-3-yl]methyl]triazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cn(CC2CCCN(Cc3ccoc3)C2)nn1
InChIInChI=1S/C18H27N5O2/c1-3-22(4-2)18(24)17-13-23(20-19-17)12-15-6-5-8-21(10-15)11-16-7-9-25-14-16/h7,9,13-15H,3-6,8,10-12H2,1-2H3
InChIKeyMYKJHVFUJPJFFK-UHFFFAOYSA-N
MW345.45 g/mol
LogP2.27
Rot. Bonds7

About N,N-diethyl-1-[[1-(furan-3-ylmethyl)piperidin-3-yl]methyl]triazole-4-carboxamide

N,N-diethyl-1-[[1-(furan-3-ylmethyl)piperidin-3-yl]methyl]triazole-4-carboxamide (PubChem CID 45202777) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N,N-diethyl-1-[[1-(furan-3-ylmethyl)piperidin-3-yl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-[[1-(furan-3-ylmethyl)piperidin-3-yl]methyl]triazole-4-carboxamide
PubChem CID45202777
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC NameN,N-diethyl-1-[[1-(furan-3-ylmethyl)piperidin-3-yl]methyl]triazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cn(CC2CCCN(Cc3ccoc3)C2)nn1
InChIInChI=1S/C18H27N5O2/c1-3-22(4-2)18(24)17-13-23(20-19-17)12-15-6-5-8-21(10-15)11-16-7-9-25-14-16/h7,9,13-15H,3-6,8,10-12H2,1-2H3
InChIKeyMYKJHVFUJPJFFK-UHFFFAOYSA-N
XLogP2.27
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[(3R)-1-[(4-acetamidophenyl)methyl]piperidin-3-yl]methyl]-N,N-diethyltriazole-4-carboxamide
CID 26348448
1-[[(3S)-1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-3-yl]methyl]-N,N-diethyltriazole-4-carboxamide
CID 26341215
1-[[1-(2-cyclopentylacetyl)piperidin-3-yl]methyl]-N,N-diethyltriazole-4-carboxamide
CID 45179659
N,N-diethyl-1-[[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]triazole-4-carboxamide
CID 45234346
N,N-diethyl-1-[[1-[3-(3-methoxyphenyl)propanoyl]piperidin-3-yl]methyl]triazole-4-carboxamide
CID 45224059
methyl 4-[[3-[4-(diethylcarbamoyl)triazol-1-yl]piperidin-1-yl]methyl]benzoate
CID 45244526
N,N-diethyl-1-[(3R)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 26355311
1-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]triazole-4-carboxylic acid
CID 129494832
1-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-N,N-diethyltriazole-4-carboxamide
CID 25326216
N,N-diethyl-1-[1-[(2-methylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 45213295
[1-[[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]-pyrrolidin-1-ylmethanone
CID 45167543
N,N-diethyl-1-[(3S)-1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 26358274

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[[1-(furan-3-ylmethyl)piperidin-3-yl]methyl]triazole-4-carboxamide?
The IUPAC name of N,N-diethyl-1-[[1-(furan-3-ylmethyl)piperidin-3-yl]methyl]triazole-4-carboxamide (CID 45202777) is N,N-diethyl-1-[[1-(furan-3-ylmethyl)piperidin-3-yl]methyl]triazole-4-carboxamide.
What is the SMILES notation for N,N-diethyl-1-[[1-(furan-3-ylmethyl)piperidin-3-yl]methyl]triazole-4-carboxamide?
The canonical SMILES for N,N-diethyl-1-[[1-(furan-3-ylmethyl)piperidin-3-yl]methyl]triazole-4-carboxamide is CCN(CC)C(=O)c1cn(CC2CCCN(Cc3ccoc3)C2)nn1.
What is the InChIKey of N,N-diethyl-1-[[1-(furan-3-ylmethyl)piperidin-3-yl]methyl]triazole-4-carboxamide?
The InChIKey is MYKJHVFUJPJFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-3-22(4-2)18(24)17-13-23(20-19-17)12-15-6-5-8-21(10-15)11-16-7-9-25-14-16/h7,9,13-15H,3-6,8,10-12H2,1-2H3.
What are the key properties of N,N-diethyl-1-[[1-(furan-3-ylmethyl)piperidin-3-yl]methyl]triazole-4-carboxamide?
N,N-diethyl-1-[[1-(furan-3-ylmethyl)piperidin-3-yl]methyl]triazole-4-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 2.27, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[[1-(furan-3-ylmethyl)piperidin-3-yl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 45202777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).