N-[(3S,4S)-4-(hydroxymethyl)piperidin-3-yl]benzamide

C13H18N2O2 — CID 71836746

IUPACN-[(3S,4S)-4-(hydroxymethyl)piperidin-3-yl]benzamide
SMILESO=C(N[C@@H]1CNCC[C@@H]1CO)c1ccccc1
InChIInChI=1S/C13H18N2O2/c16-9-11-6-7-14-8-12(11)15-13(17)10-4-2-1-3-5-10/h1-5,11-12,14,16H,6-9H2,(H,15,17)/t11-,12-/m1/s1
InChIKeyLWHNAVLKHZEGLB-VXGBXAGGSA-N
MW234.30 g/mol
LogP0.39
Rot. Bonds3

About N-[(3S,4S)-4-(hydroxymethyl)piperidin-3-yl]benzamide

N-[(3S,4S)-4-(hydroxymethyl)piperidin-3-yl]benzamide (PubChem CID 71836746) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[(3S,4S)-4-(hydroxymethyl)piperidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-(hydroxymethyl)piperidin-3-yl]benzamide
PubChem CID71836746
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-[(3S,4S)-4-(hydroxymethyl)piperidin-3-yl]benzamide
SMILESO=C(N[C@@H]1CNCC[C@@H]1CO)c1ccccc1
InChIInChI=1S/C13H18N2O2/c16-9-11-6-7-14-8-12(11)15-13(17)10-4-2-1-3-5-10/h1-5,11-12,14,16H,6-9H2,(H,15,17)/t11-,12-/m1/s1
InChIKeyLWHNAVLKHZEGLB-VXGBXAGGSA-N
XLogP0.39
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R,4S)-3-hydroxypiperidin-4-yl]benzamide
CID 15096814
N-(4-methylpiperidin-3-yl)benzamide
CID 63326220
N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 85447885
N-(2-benzamidocyclobutyl)benzamide
CID 58037122
N-piperidin-3-ylbenzamide
CID 22017045
N-[(3-bromopiperidin-4-yl)methyl]benzamide
CID 141477897
[3-[[(1R)-1-phenylethyl]amino]piperidin-4-yl]methanol
CID 174553804
N-[(4S)-azepan-4-yl]benzamide
CID 146196053
N-[4-(hydroxymethyl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 171149979
N-[4-(hydroxymethyl)piperidin-3-yl]-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 167780990
N-(2-hydroxycyclopropyl)benzamide
CID 175468011
N-(piperidin-4-ylcarbamoyl)benzamide
CID 12608582

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-(hydroxymethyl)piperidin-3-yl]benzamide?
The IUPAC name of N-[(3S,4S)-4-(hydroxymethyl)piperidin-3-yl]benzamide (CID 71836746) is N-[(3S,4S)-4-(hydroxymethyl)piperidin-3-yl]benzamide.
What is the SMILES notation for N-[(3S,4S)-4-(hydroxymethyl)piperidin-3-yl]benzamide?
The canonical SMILES for N-[(3S,4S)-4-(hydroxymethyl)piperidin-3-yl]benzamide is O=C(N[C@@H]1CNCC[C@@H]1CO)c1ccccc1.
What is the InChIKey of N-[(3S,4S)-4-(hydroxymethyl)piperidin-3-yl]benzamide?
The InChIKey is LWHNAVLKHZEGLB-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H18N2O2/c16-9-11-6-7-14-8-12(11)15-13(17)10-4-2-1-3-5-10/h1-5,11-12,14,16H,6-9H2,(H,15,17)/t11-,12-/m1/s1.
What are the key properties of N-[(3S,4S)-4-(hydroxymethyl)piperidin-3-yl]benzamide?
N-[(3S,4S)-4-(hydroxymethyl)piperidin-3-yl]benzamide has a molecular weight of 234.30 g/mol, XLogP of 0.39, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-(hydroxymethyl)piperidin-3-yl]benzamide is sourced from PubChem (CID 71836746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).