N-[(3S,4S)-1-(furan-2-ylmethyl)-4-(hydroxymethyl)piperidin-3-yl]benzamide

C18H22N2O3 — CID 91915719

IUPACN-[(3S,4S)-1-(furan-2-ylmethyl)-4-(hydroxymethyl)piperidin-3-yl]benzamide
SMILESO=C(N[C@@H]1CN(Cc2ccco2)CC[C@@H]1CO)c1ccccc1
InChIInChI=1S/C18H22N2O3/c21-13-15-8-9-20(11-16-7-4-10-23-16)12-17(15)19-18(22)14-5-2-1-3-6-14/h1-7,10,15,17,21H,8-9,11-13H2,(H,19,22)/t15-,17-/m1/s1
InChIKeyIRSAQXXTGZHIES-NVXWUHKLSA-N
MW314.38 g/mol
LogP1.89
Rot. Bonds5

About N-[(3S,4S)-1-(furan-2-ylmethyl)-4-(hydroxymethyl)piperidin-3-yl]benzamide

N-[(3S,4S)-1-(furan-2-ylmethyl)-4-(hydroxymethyl)piperidin-3-yl]benzamide (PubChem CID 91915719) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is N-[(3S,4S)-1-(furan-2-ylmethyl)-4-(hydroxymethyl)piperidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[(3S,4S)-1-(furan-2-ylmethyl)-4-(hydroxymethyl)piperidin-3-yl]benzamide
PubChem CID91915719
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC NameN-[(3S,4S)-1-(furan-2-ylmethyl)-4-(hydroxymethyl)piperidin-3-yl]benzamide
SMILESO=C(N[C@@H]1CN(Cc2ccco2)CC[C@@H]1CO)c1ccccc1
InChIInChI=1S/C18H22N2O3/c21-13-15-8-9-20(11-16-7-4-10-23-16)12-17(15)19-18(22)14-5-2-1-3-6-14/h1-7,10,15,17,21H,8-9,11-13H2,(H,19,22)/t15-,17-/m1/s1
InChIKeyIRSAQXXTGZHIES-NVXWUHKLSA-N
XLogP1.89
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S,4R)-4-(hydroxymethyl)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]benzamide
CID 110202549
N-[(3S,4S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(hydroxymethyl)piperidin-3-yl]benzamide
CID 91915720
N-[(3S,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-5-chlorofuran-2-carboxamide
CID 97248022
1-(furan-2-ylmethyl)piperidine-3,4-dicarboxylic acid
CID 112568220
N-[1-(cyclopentanecarbonyl)-4-(hydroxymethyl)piperidin-3-yl]benzamide
CID 171142001
[1-(furan-2-ylmethyl)piperidin-4-yl]-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 56915482
N-[(3S,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3,4-dihydro-2H-pyran-5-carboxamide
CID 97328592
N-[(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-5-fluoropyridine-3-carboxamide
CID 98887099
N-[(3S,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 124740057
1-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3-phenylurea
CID 98775527
N-[1-[(2,6-difluorophenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]benzamide
CID 171142642
N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 85447885

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-1-(furan-2-ylmethyl)-4-(hydroxymethyl)piperidin-3-yl]benzamide?
The IUPAC name of N-[(3S,4S)-1-(furan-2-ylmethyl)-4-(hydroxymethyl)piperidin-3-yl]benzamide (CID 91915719) is N-[(3S,4S)-1-(furan-2-ylmethyl)-4-(hydroxymethyl)piperidin-3-yl]benzamide.
What is the SMILES notation for N-[(3S,4S)-1-(furan-2-ylmethyl)-4-(hydroxymethyl)piperidin-3-yl]benzamide?
The canonical SMILES for N-[(3S,4S)-1-(furan-2-ylmethyl)-4-(hydroxymethyl)piperidin-3-yl]benzamide is O=C(N[C@@H]1CN(Cc2ccco2)CC[C@@H]1CO)c1ccccc1.
What is the InChIKey of N-[(3S,4S)-1-(furan-2-ylmethyl)-4-(hydroxymethyl)piperidin-3-yl]benzamide?
The InChIKey is IRSAQXXTGZHIES-NVXWUHKLSA-N. The full InChI is InChI=1S/C18H22N2O3/c21-13-15-8-9-20(11-16-7-4-10-23-16)12-17(15)19-18(22)14-5-2-1-3-6-14/h1-7,10,15,17,21H,8-9,11-13H2,(H,19,22)/t15-,17-/m1/s1.
What are the key properties of N-[(3S,4S)-1-(furan-2-ylmethyl)-4-(hydroxymethyl)piperidin-3-yl]benzamide?
N-[(3S,4S)-1-(furan-2-ylmethyl)-4-(hydroxymethyl)piperidin-3-yl]benzamide has a molecular weight of 314.38 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-1-(furan-2-ylmethyl)-4-(hydroxymethyl)piperidin-3-yl]benzamide is sourced from PubChem (CID 91915719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).