(2-phenyloxolan-2-yl)-(4-propan-2-ylpiperidin-1-yl)methanone

C19H27NO2 — CID 155469978

IUPAC(2-phenyloxolan-2-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)C2(c3ccccc3)CCCO2)CC1
InChIInChI=1S/C19H27NO2/c1-15(2)16-9-12-20(13-10-16)18(21)19(11-6-14-22-19)17-7-4-3-5-8-17/h3-5,7-8,15-16H,6,9-14H2,1-2H3
InChIKeyNWDFDIXRBKKEEB-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.59
Rot. Bonds3

About (2-phenyloxolan-2-yl)-(4-propan-2-ylpiperidin-1-yl)methanone

(2-phenyloxolan-2-yl)-(4-propan-2-ylpiperidin-1-yl)methanone (PubChem CID 155469978) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is (2-phenyloxolan-2-yl)-(4-propan-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-phenyloxolan-2-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
PubChem CID155469978
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC Name(2-phenyloxolan-2-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)C2(c3ccccc3)CCCO2)CC1
InChIInChI=1S/C19H27NO2/c1-15(2)16-9-12-20(13-10-16)18(21)19(11-6-14-22-19)17-7-4-3-5-8-17/h3-5,7-8,15-16H,6,9-14H2,1-2H3
InChIKeyNWDFDIXRBKKEEB-UHFFFAOYSA-N
XLogP3.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Carbiphene
CID 10080
Benzeneacetamide, alpha-ethoxy-N-methyl-N-(2-(methyl(2-phenylethyl)amino)ethyl)-alpha-phenyl-, hydrochloride (1:1)
CID 10079
5-Methyl-3,7-diphenyl-2-oxa-5-azabicyclo[2.2.1]heptan-6-one
CID 13592840
(4-Hydroxy-4-phenyl-piperidin-1-yl)-(tetrahydro-furan-2-yl)-methanone
CID 644736
4-[2-(Diethylamino)ethyl]-2,2-diphenyloxolan-3-one;hydrochloride
CID 49796396
4-Methyl-2-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162674852
3-Methoxy-3-phenyl-2-piperidinone
CID 137300
2-Furamide, tetrahydro-N,N-diethyl-5-oxo-2-phenyl-
CID 25941
X 100
CID 19153
Benzeneacetamide, alpha-ethoxy-alpha-phenyl-N-(2-(1-pyrrolidinyl)ethyl)-, monohydrochloride
CID 3047310
Lansimide 3
CID 85584195
1-(Ethoxycarbonyl)-3-methoxy-3-phenyl-2-piperidinone
CID 137301

Frequently Asked Questions

What is the IUPAC name of (2-phenyloxolan-2-yl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (2-phenyloxolan-2-yl)-(4-propan-2-ylpiperidin-1-yl)methanone (CID 155469978) is (2-phenyloxolan-2-yl)-(4-propan-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-phenyloxolan-2-yl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (2-phenyloxolan-2-yl)-(4-propan-2-ylpiperidin-1-yl)methanone is CC(C)C1CCN(C(=O)C2(c3ccccc3)CCCO2)CC1.
What is the InChIKey of (2-phenyloxolan-2-yl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The InChIKey is NWDFDIXRBKKEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2/c1-15(2)16-9-12-20(13-10-16)18(21)19(11-6-14-22-19)17-7-4-3-5-8-17/h3-5,7-8,15-16H,6,9-14H2,1-2H3.
What are the key properties of (2-phenyloxolan-2-yl)-(4-propan-2-ylpiperidin-1-yl)methanone?
(2-phenyloxolan-2-yl)-(4-propan-2-ylpiperidin-1-yl)methanone has a molecular weight of 301.43 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyloxolan-2-yl)-(4-propan-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 155469978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).