[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-(4-phenylpiperidin-1-yl)methanone

C17H21NO2 — CID 136583837

IUPAC[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-(4-phenylpiperidin-1-yl)methanone
SMILESO=C(C1[C@H]2COC[C@@H]12)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H21NO2/c19-17(16-14-10-20-11-15(14)16)18-8-6-13(7-9-18)12-4-2-1-3-5-12/h1-5,13-16H,6-11H2/t14-,15+,16?
InChIKeyBEZADYWNKQKATK-XYPWUTKMSA-N
MW271.36 g/mol
LogP2.29
Rot. Bonds2

About [(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-(4-phenylpiperidin-1-yl)methanone

[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-(4-phenylpiperidin-1-yl)methanone (PubChem CID 136583837) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is [(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-(4-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-(4-phenylpiperidin-1-yl)methanone
PubChem CID136583837
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-(4-phenylpiperidin-1-yl)methanone
SMILESO=C(C1[C@H]2COC[C@@H]12)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H21NO2/c19-17(16-14-10-20-11-15(14)16)18-8-6-13(7-9-18)12-4-2-1-3-5-12/h1-5,13-16H,6-11H2/t14-,15+,16?
InChIKeyBEZADYWNKQKATK-XYPWUTKMSA-N
XLogP2.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-(4-phenylpiperidin-1-yl)methanone with MolForge

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Related Compounds

(4-aminooxolan-3-yl)-(4-phenylpiperidin-1-yl)methanone
CID 66240855
morpholin-4-yl-(4-phenylpiperidin-1-yl)methanone
CID 67308530
4-benzyl-9-(4-phenylpiperidine-1-carbonyl)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 154849567
4-phenylpiperidine-1-carbothioic S-acid
CID 174725157
(1-methylpiperidin-4-yl)-(4-phenylpiperidin-1-yl)methanone
CID 91806523
(4-aminooxolan-3-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 66236076
1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-2-(4-phenylpiperidin-1-yl)ethane-1,2-dione
CID 154849569
trans-(2R,4R)-3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid
CID 1150738
3-(4-phenylazepane-1-carbonyl)piperidine-1-carboxamide
CID 136522919
(4-phenylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 119703069
methyl 2-(4-phenylpiperidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 134793006
(4-amino-3-methyloxolan-3-yl)-(4-phenylpiperidin-1-yl)methanone
CID 66250245

Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-(4-phenylpiperidin-1-yl)methanone?
The IUPAC name of [(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-(4-phenylpiperidin-1-yl)methanone (CID 136583837) is [(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-(4-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for [(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-(4-phenylpiperidin-1-yl)methanone?
The canonical SMILES for [(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-(4-phenylpiperidin-1-yl)methanone is O=C(C1[C@H]2COC[C@@H]12)N1CCC(c2ccccc2)CC1.
What is the InChIKey of [(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-(4-phenylpiperidin-1-yl)methanone?
The InChIKey is BEZADYWNKQKATK-XYPWUTKMSA-N. The full InChI is InChI=1S/C17H21NO2/c19-17(16-14-10-20-11-15(14)16)18-8-6-13(7-9-18)12-4-2-1-3-5-12/h1-5,13-16H,6-11H2/t14-,15+,16?.
What are the key properties of [(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-(4-phenylpiperidin-1-yl)methanone?
[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-(4-phenylpiperidin-1-yl)methanone has a molecular weight of 271.36 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-(4-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 136583837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).