N-(furan-2-ylmethyl)-3-[[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzamide

C20H26N2O3 — CID 95268952

IUPACN-(furan-2-ylmethyl)-3-[[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzamide
SMILESO=C(NCc1ccco1)c1cccc(CN2CCCC[C@@H]2CCO)c1
InChIInChI=1S/C20H26N2O3/c23-11-9-18-7-1-2-10-22(18)15-16-5-3-6-17(13-16)20(24)21-14-19-8-4-12-25-19/h3-6,8,12-13,18,23H,1-2,7,9-11,14-15H2,(H,21,24)/t18-/m1/s1
InChIKeyCHGCJDRXWZQHCM-GOSISDBHSA-N
MW342.44 g/mol
LogP2.95
Rot. Bonds7

About N-(furan-2-ylmethyl)-3-[[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzamide

N-(furan-2-ylmethyl)-3-[[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzamide (PubChem CID 95268952) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-[[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-[[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzamide
PubChem CID95268952
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-(furan-2-ylmethyl)-3-[[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzamide
SMILESO=C(NCc1ccco1)c1cccc(CN2CCCC[C@@H]2CCO)c1
InChIInChI=1S/C20H26N2O3/c23-11-9-18-7-1-2-10-22(18)15-16-5-3-6-17(13-16)20(24)21-14-19-8-4-12-25-19/h3-6,8,12-13,18,23H,1-2,7,9-11,14-15H2,(H,21,24)/t18-/m1/s1
InChIKeyCHGCJDRXWZQHCM-GOSISDBHSA-N
XLogP2.95
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(cyclobutanecarbonylamino)methyl]-N-(furan-2-ylmethyl)benzamide
CID 71890389
N-(furan-2-ylmethyl)-3-[(3-hydroxypiperidin-1-yl)methyl]benzamide
CID 110900329
3-[[(3aS,7aS)-7-oxo-2,3,3a,4,5,7a-hexahydropyrano[3,4-b]pyrrol-1-yl]methyl]-N-(furan-2-ylmethyl)benzamide
CID 100905876
N-(furan-2-ylmethyl)-3-[(7-oxo-2,3,3a,4,5,7a-hexahydropyrano[3,4-b]pyrrol-1-yl)methyl]benzamide
CID 75469966
3-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzohydrazide
CID 55214436
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
3-[(4-cyclohexylbutanoylamino)methyl]-N-(furan-2-ylmethyl)benzamide
CID 55878034
3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(furan-2-ylmethyl)benzamide
CID 43921245
3-[[[(2R)-2-amino-3-hydroxypropanoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 167751843
3-[[(N-cyclohexyl-N'-methylcarbamimidoyl)amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 110957426
N-(furan-2-ylmethyl)-3-(methoxymethyl)benzamide
CID 35808973
N-(furan-2-ylmethyl)-3-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]benzamide
CID 47061689

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-[[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-[[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzamide (CID 95268952) is N-(furan-2-ylmethyl)-3-[[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-[[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-[[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzamide is O=C(NCc1ccco1)c1cccc(CN2CCCC[C@@H]2CCO)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-[[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzamide?
The InChIKey is CHGCJDRXWZQHCM-GOSISDBHSA-N. The full InChI is InChI=1S/C20H26N2O3/c23-11-9-18-7-1-2-10-22(18)15-16-5-3-6-17(13-16)20(24)21-14-19-8-4-12-25-19/h3-6,8,12-13,18,23H,1-2,7,9-11,14-15H2,(H,21,24)/t18-/m1/s1.
What are the key properties of N-(furan-2-ylmethyl)-3-[[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzamide?
N-(furan-2-ylmethyl)-3-[[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzamide has a molecular weight of 342.44 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-[[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzamide is sourced from PubChem (CID 95268952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).