N-(furan-2-ylmethyl)-3-[(3-hydroxypiperidin-1-yl)methyl]benzamide

C18H22N2O3 — CID 110900329

IUPACN-(furan-2-ylmethyl)-3-[(3-hydroxypiperidin-1-yl)methyl]benzamide
SMILESO=C(NCc1ccco1)c1cccc(CN2CCCC(O)C2)c1
InChIInChI=1S/C18H22N2O3/c21-16-6-2-8-20(13-16)12-14-4-1-5-15(10-14)18(22)19-11-17-7-3-9-23-17/h1,3-5,7,9-10,16,21H,2,6,8,11-13H2,(H,19,22)
InChIKeyRKPREUMOZPGBIZ-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.17
Rot. Bonds5

About N-(furan-2-ylmethyl)-3-[(3-hydroxypiperidin-1-yl)methyl]benzamide

N-(furan-2-ylmethyl)-3-[(3-hydroxypiperidin-1-yl)methyl]benzamide (PubChem CID 110900329) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-[(3-hydroxypiperidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-[(3-hydroxypiperidin-1-yl)methyl]benzamide
PubChem CID110900329
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC NameN-(furan-2-ylmethyl)-3-[(3-hydroxypiperidin-1-yl)methyl]benzamide
SMILESO=C(NCc1ccco1)c1cccc(CN2CCCC(O)C2)c1
InChIInChI=1S/C18H22N2O3/c21-16-6-2-8-20(13-16)12-14-4-1-5-15(10-14)18(22)19-11-17-7-3-9-23-17/h1,3-5,7,9-10,16,21H,2,6,8,11-13H2,(H,19,22)
InChIKeyRKPREUMOZPGBIZ-UHFFFAOYSA-N
XLogP2.17
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-2-[(3R)-3-hydroxypiperidin-1-yl]acetamide
CID 29231189
3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(furan-2-ylmethyl)benzamide
CID 43921245
N-(furan-2-ylmethyl)-3-[[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzamide
CID 95268952
3-[(cyclobutanecarbonylamino)methyl]-N-(furan-2-ylmethyl)benzamide
CID 71890389
1-benzyl-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 43921227
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
N-(furan-2-ylmethyl)-3-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]benzamide
CID 46055949
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-[[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 55878043
3-[(3S)-1-benzoylpiperidin-3-yl]-N-(furan-2-ylmethyl)benzamide
CID 92872465
[3-[(3-hydroxypiperidin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
CID 60527564

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-[(3-hydroxypiperidin-1-yl)methyl]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-[(3-hydroxypiperidin-1-yl)methyl]benzamide (CID 110900329) is N-(furan-2-ylmethyl)-3-[(3-hydroxypiperidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-[(3-hydroxypiperidin-1-yl)methyl]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-[(3-hydroxypiperidin-1-yl)methyl]benzamide is O=C(NCc1ccco1)c1cccc(CN2CCCC(O)C2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-[(3-hydroxypiperidin-1-yl)methyl]benzamide?
The InChIKey is RKPREUMOZPGBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c21-16-6-2-8-20(13-16)12-14-4-1-5-15(10-14)18(22)19-11-17-7-3-9-23-17/h1,3-5,7,9-10,16,21H,2,6,8,11-13H2,(H,19,22).
What are the key properties of N-(furan-2-ylmethyl)-3-[(3-hydroxypiperidin-1-yl)methyl]benzamide?
N-(furan-2-ylmethyl)-3-[(3-hydroxypiperidin-1-yl)methyl]benzamide has a molecular weight of 314.39 g/mol, XLogP of 2.17, 5 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-[(3-hydroxypiperidin-1-yl)methyl]benzamide is sourced from PubChem (CID 110900329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).