(3,3-diphenylpiperidin-1-yl)-[(2S)-oxan-2-yl]methanone

C23H27NO2 — CID 125170830

IUPAC(3,3-diphenylpiperidin-1-yl)-[(2S)-oxan-2-yl]methanone
SMILESO=C([C@@H]1CCCCO1)N1CCCC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C23H27NO2/c25-22(21-14-7-8-17-26-21)24-16-9-15-23(18-24,19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-6,10-13,21H,7-9,14-18H2/t21-/m0/s1
InChIKeyJCTASYFEANJUSK-NRFANRHFSA-N
MW349.47 g/mol
LogP4.16
Rot. Bonds3

About (3,3-diphenylpiperidin-1-yl)-[(2S)-oxan-2-yl]methanone

(3,3-diphenylpiperidin-1-yl)-[(2S)-oxan-2-yl]methanone (PubChem CID 125170830) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is (3,3-diphenylpiperidin-1-yl)-[(2S)-oxan-2-yl]methanone.

Molecular Properties

Compound Name(3,3-diphenylpiperidin-1-yl)-[(2S)-oxan-2-yl]methanone
PubChem CID125170830
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC Name(3,3-diphenylpiperidin-1-yl)-[(2S)-oxan-2-yl]methanone
SMILESO=C([C@@H]1CCCCO1)N1CCCC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C23H27NO2/c25-22(21-14-7-8-17-26-21)24-16-9-15-23(18-24,19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-6,10-13,21H,7-9,14-18H2/t21-/m0/s1
InChIKeyJCTASYFEANJUSK-NRFANRHFSA-N
XLogP4.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,3-diphenylpiperidin-1-yl)-(oxan-2-yl)methanone
CID 118773107
[(2S)-oxolan-2-yl]-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]methanone
CID 7831176
(3S)-3-(3,3-diphenylpiperidine-1-carbonyl)piperidine-1-carboxamide
CID 97128394
(6S)-6-(3,3-diphenylpiperidine-1-carbonyl)piperazin-2-one
CID 97134489
methyl 1-[(2R)-oxolane-2-carbonyl]-4-phenylpiperidine-4-carboxylate
CID 29362626
azepan-1-yl(oxan-2-yl)methanone
CID 64592467
[(2R)-oxolan-2-yl]-[(6S)-11-phenyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 97494631
oxolan-2-yl-(3-phenylpyrrolidin-1-yl)methanone
CID 110871538
(2R)-1-(3,3-diphenylpiperidin-1-yl)-2-hydroxypropan-1-one
CID 97270691
2-benzyl-9-(oxane-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72856189
N'-methyl-4-(oxolane-2-carbonyl)-N-[(1-phenylcyclopropyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111301756
(3,3-diphenylpiperidin-1-yl)-(1H-pyrrol-3-yl)methanone
CID 72916779

Frequently Asked Questions

What is the IUPAC name of (3,3-diphenylpiperidin-1-yl)-[(2S)-oxan-2-yl]methanone?
The IUPAC name of (3,3-diphenylpiperidin-1-yl)-[(2S)-oxan-2-yl]methanone (CID 125170830) is (3,3-diphenylpiperidin-1-yl)-[(2S)-oxan-2-yl]methanone.
What is the SMILES notation for (3,3-diphenylpiperidin-1-yl)-[(2S)-oxan-2-yl]methanone?
The canonical SMILES for (3,3-diphenylpiperidin-1-yl)-[(2S)-oxan-2-yl]methanone is O=C([C@@H]1CCCCO1)N1CCCC(c2ccccc2)(c2ccccc2)C1.
What is the InChIKey of (3,3-diphenylpiperidin-1-yl)-[(2S)-oxan-2-yl]methanone?
The InChIKey is JCTASYFEANJUSK-NRFANRHFSA-N. The full InChI is InChI=1S/C23H27NO2/c25-22(21-14-7-8-17-26-21)24-16-9-15-23(18-24,19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-6,10-13,21H,7-9,14-18H2/t21-/m0/s1.
What are the key properties of (3,3-diphenylpiperidin-1-yl)-[(2S)-oxan-2-yl]methanone?
(3,3-diphenylpiperidin-1-yl)-[(2S)-oxan-2-yl]methanone has a molecular weight of 349.47 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-diphenylpiperidin-1-yl)-[(2S)-oxan-2-yl]methanone is sourced from PubChem (CID 125170830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).