3,5-dihydroxy-N-[(3R)-1-phenylpiperidin-3-yl]benzamide

C18H20N2O3 — CID 99635756

IUPAC3,5-dihydroxy-N-[(3R)-1-phenylpiperidin-3-yl]benzamide
SMILESO=C(N[C@@H]1CCCN(c2ccccc2)C1)c1cc(O)cc(O)c1
InChIInChI=1S/C18H20N2O3/c21-16-9-13(10-17(22)11-16)18(23)19-14-5-4-8-20(12-14)15-6-2-1-3-7-15/h1-3,6-7,9-11,14,21-22H,4-5,8,12H2,(H,19,23)/t14-/m1/s1
InChIKeyKIZOECOBJCSFRL-CQSZACIVSA-N
MW312.37 g/mol
LogP2.50
Rot. Bonds3

About 3,5-dihydroxy-N-[(3R)-1-phenylpiperidin-3-yl]benzamide

3,5-dihydroxy-N-[(3R)-1-phenylpiperidin-3-yl]benzamide (PubChem CID 99635756) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3,5-dihydroxy-N-[(3R)-1-phenylpiperidin-3-yl]benzamide.

Molecular Properties

Compound Name3,5-dihydroxy-N-[(3R)-1-phenylpiperidin-3-yl]benzamide
PubChem CID99635756
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name3,5-dihydroxy-N-[(3R)-1-phenylpiperidin-3-yl]benzamide
SMILESO=C(N[C@@H]1CCCN(c2ccccc2)C1)c1cc(O)cc(O)c1
InChIInChI=1S/C18H20N2O3/c21-16-9-13(10-17(22)11-16)18(23)19-14-5-4-8-20(12-14)15-6-2-1-3-7-15/h1-3,6-7,9-11,14,21-22H,4-5,8,12H2,(H,19,23)/t14-/m1/s1
InChIKeyKIZOECOBJCSFRL-CQSZACIVSA-N
XLogP2.50
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-1-phenylpiperidin-3-yl]carbamic acid
CID 89499357
(1-phenylpiperidin-3-yl)urea
CID 121416777
2-fluoro-N-(1-phenylpiperidin-3-yl)benzamide
CID 136525999
1-methyl-N-(1-phenylpiperidin-3-yl)piperidine-4-carboxamide
CID 167845265
4-iodo-3-[(1-phenylpyrrolidin-3-yl)carbamoyl]benzoic acid
CID 166396641
4-(methylamino)-N-(1-phenylpiperidin-3-yl)butanamide
CID 119888744
3-amino-2-methyl-N-(1-phenylpiperidin-3-yl)butanamide;dihydrochloride
CID 120504040
1-[2-(hydroxymethyl)cyclohexyl]-3-(1-phenylpiperidin-3-yl)urea
CID 111631043
2-(hydroxymethyl)-N-(1-phenylpiperidin-3-yl)pyrrolidine-1-carboxamide
CID 111428348
3-(hydroxymethyl)-N-(1-phenylpiperidin-3-yl)pyrrolidine-1-carboxamide
CID 111444148
3-amino-N-(1-phenylpiperidin-3-yl)butanamide
CID 119888787
4-hydroxy-N-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]naphthalene-2-carboxamide
CID 124882652

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-N-[(3R)-1-phenylpiperidin-3-yl]benzamide?
The IUPAC name of 3,5-dihydroxy-N-[(3R)-1-phenylpiperidin-3-yl]benzamide (CID 99635756) is 3,5-dihydroxy-N-[(3R)-1-phenylpiperidin-3-yl]benzamide.
What is the SMILES notation for 3,5-dihydroxy-N-[(3R)-1-phenylpiperidin-3-yl]benzamide?
The canonical SMILES for 3,5-dihydroxy-N-[(3R)-1-phenylpiperidin-3-yl]benzamide is O=C(N[C@@H]1CCCN(c2ccccc2)C1)c1cc(O)cc(O)c1.
What is the InChIKey of 3,5-dihydroxy-N-[(3R)-1-phenylpiperidin-3-yl]benzamide?
The InChIKey is KIZOECOBJCSFRL-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20N2O3/c21-16-9-13(10-17(22)11-16)18(23)19-14-5-4-8-20(12-14)15-6-2-1-3-7-15/h1-3,6-7,9-11,14,21-22H,4-5,8,12H2,(H,19,23)/t14-/m1/s1.
What are the key properties of 3,5-dihydroxy-N-[(3R)-1-phenylpiperidin-3-yl]benzamide?
3,5-dihydroxy-N-[(3R)-1-phenylpiperidin-3-yl]benzamide has a molecular weight of 312.37 g/mol, XLogP of 2.50, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-N-[(3R)-1-phenylpiperidin-3-yl]benzamide is sourced from PubChem (CID 99635756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).