[3-(4-hydroxy-4-phenylpiperidine-1-carbonyl)phenyl]-(4-hydroxy-4-phenylpiperidin-1-yl)methanone

C30H32N2O4 — CID 23723068

IUPAC[3-(4-hydroxy-4-phenylpiperidine-1-carbonyl)phenyl]-(4-hydroxy-4-phenylpiperidin-1-yl)methanone
SMILESO=C(c1cccc(C(=O)N2CCC(O)(c3ccccc3)CC2)c1)N1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C30H32N2O4/c33-27(31-18-14-29(35,15-19-31)25-10-3-1-4-11-25)23-8-7-9-24(22-23)28(34)32-20-16-30(36,17-21-32)26-12-5-2-6-13-26/h1-13,22,35-36H,14-21H2
InChIKeyIPOZPAWLVPGQAK-UHFFFAOYSA-N
MW484.60 g/mol
LogP3.93
Rot. Bonds4

About [3-(4-hydroxy-4-phenylpiperidine-1-carbonyl)phenyl]-(4-hydroxy-4-phenylpiperidin-1-yl)methanone

[3-(4-hydroxy-4-phenylpiperidine-1-carbonyl)phenyl]-(4-hydroxy-4-phenylpiperidin-1-yl)methanone (PubChem CID 23723068) has the molecular formula C30H32N2O4 and a molecular weight of 484.60 g/mol. Its IUPAC name is [3-(4-hydroxy-4-phenylpiperidine-1-carbonyl)phenyl]-(4-hydroxy-4-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(4-hydroxy-4-phenylpiperidine-1-carbonyl)phenyl]-(4-hydroxy-4-phenylpiperidin-1-yl)methanone
PubChem CID23723068
Molecular FormulaC30H32N2O4
Molecular Weight484.60 g/mol
Exact Mass484.24
IUPAC Name[3-(4-hydroxy-4-phenylpiperidine-1-carbonyl)phenyl]-(4-hydroxy-4-phenylpiperidin-1-yl)methanone
SMILESO=C(c1cccc(C(=O)N2CCC(O)(c3ccccc3)CC2)c1)N1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C30H32N2O4/c33-27(31-18-14-29(35,15-19-31)25-10-3-1-4-11-25)23-8-7-9-24(22-23)28(34)32-20-16-30(36,17-21-32)26-12-5-2-6-13-26/h1-13,22,35-36H,14-21H2
InChIKeyIPOZPAWLVPGQAK-UHFFFAOYSA-N
XLogP3.93
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1-Benzyl-4-hydroxy-4-phenylpiperidin-3-yl)-phenylmethanone
CID 2827008
cis-((4R,4aS,8aR)-4-hydroxy-4-phenyloctahydroquinolin-1(2H)-yl)(phenyl)methanone
CID 1202067
trans-((4R,4aS,8aS)-4-hydroxy-4-phenyloctahydroquinolin-1(2H)-yl)(phenyl)methanone
CID 6973727
[4-[(2,2-Diphenylmorpholin-4-yl)methyl]piperidin-1-yl]-phenylmethanone
CID 44529913
[(4R,4aS,8aS)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl]-phenylmethanone
CID 54587106
(2,6-Difluoro-phenyl)-[4-(4-fluoro-phenyl)-4-hydroxy-piperidin-1-yl]-methanone
CID 6487636
trans-3-((4R,4aS,8aS)-1-benzoyl-4-hydroxydecahydroquinolin-4-yl)benzonitrile
CID 54587105
(4-Benzyl-4-hydroxypiperidin-1-yl)-naphthalen-1-ylmethanone
CID 118734424
(4-(Tert-butyl)phenyl)(4-(hydroxydiphenylmethyl)piperidin-1-yl)methanone
CID 118322615
3-[[1-(2,2-Diphenylacetyl)piperidin-4-ylidene]methyl]benzoic acid
CID 10960600
[4-[(Z)-2-(1-benzoyl-4-hydroxypiperidin-4-yl)ethenyl]-4-hydroxypiperidin-1-yl]-phenylmethanone
CID 12283014
3-[[4-[Hydroxy(diphenyl)methyl]piperidin-1-yl]methyl]benzoic acid
CID 118717670

Frequently Asked Questions

What is the IUPAC name of [3-(4-hydroxy-4-phenylpiperidine-1-carbonyl)phenyl]-(4-hydroxy-4-phenylpiperidin-1-yl)methanone?
The IUPAC name of [3-(4-hydroxy-4-phenylpiperidine-1-carbonyl)phenyl]-(4-hydroxy-4-phenylpiperidin-1-yl)methanone (CID 23723068) is [3-(4-hydroxy-4-phenylpiperidine-1-carbonyl)phenyl]-(4-hydroxy-4-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-(4-hydroxy-4-phenylpiperidine-1-carbonyl)phenyl]-(4-hydroxy-4-phenylpiperidin-1-yl)methanone?
The canonical SMILES for [3-(4-hydroxy-4-phenylpiperidine-1-carbonyl)phenyl]-(4-hydroxy-4-phenylpiperidin-1-yl)methanone is O=C(c1cccc(C(=O)N2CCC(O)(c3ccccc3)CC2)c1)N1CCC(O)(c2ccccc2)CC1.
What is the InChIKey of [3-(4-hydroxy-4-phenylpiperidine-1-carbonyl)phenyl]-(4-hydroxy-4-phenylpiperidin-1-yl)methanone?
The InChIKey is IPOZPAWLVPGQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O4/c33-27(31-18-14-29(35,15-19-31)25-10-3-1-4-11-25)23-8-7-9-24(22-23)28(34)32-20-16-30(36,17-21-32)26-12-5-2-6-13-26/h1-13,22,35-36H,14-21H2.
What are the key properties of [3-(4-hydroxy-4-phenylpiperidine-1-carbonyl)phenyl]-(4-hydroxy-4-phenylpiperidin-1-yl)methanone?
[3-(4-hydroxy-4-phenylpiperidine-1-carbonyl)phenyl]-(4-hydroxy-4-phenylpiperidin-1-yl)methanone has a molecular weight of 484.60 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-hydroxy-4-phenylpiperidine-1-carbonyl)phenyl]-(4-hydroxy-4-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 23723068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).