7-ethyl-5-[1-(2-phenylethyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octan-8-one

C21H30N2O2 — CID 129053734

IUPAC7-ethyl-5-[1-(2-phenylethyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octan-8-one
SMILESCCN1CC(C2CCN(CCc3ccccc3)CC2)OC2(CC2)C1=O
InChIInChI=1S/C21H30N2O2/c1-2-23-16-19(25-21(11-12-21)20(23)24)18-9-14-22(15-10-18)13-8-17-6-4-3-5-7-17/h3-7,18-19H,2,8-16H2,1H3
InChIKeyAKBWJPVSDFJNJS-UHFFFAOYSA-N
MW342.48 g/mol
LogP2.72
Rot. Bonds5

About 7-ethyl-5-[1-(2-phenylethyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octan-8-one

7-ethyl-5-[1-(2-phenylethyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octan-8-one (PubChem CID 129053734) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 7-ethyl-5-[1-(2-phenylethyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octan-8-one.

Molecular Properties

Compound Name7-ethyl-5-[1-(2-phenylethyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octan-8-one
PubChem CID129053734
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name7-ethyl-5-[1-(2-phenylethyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octan-8-one
SMILESCCN1CC(C2CCN(CCc3ccccc3)CC2)OC2(CC2)C1=O
InChIInChI=1S/C21H30N2O2/c1-2-23-16-19(25-21(11-12-21)20(23)24)18-9-14-22(15-10-18)13-8-17-6-4-3-5-7-17/h3-7,18-19H,2,8-16H2,1H3
InChIKeyAKBWJPVSDFJNJS-UHFFFAOYSA-N
XLogP2.72
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-ethyl-5-[1-(2-phenylethyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octan-8-one with MolForge

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Related Compounds

(2R)-9-[2-(2,5-Difluorophenyl)ethyl]-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118561036
4-Methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 20522011
4-Methyl-9-(2-phenylethyl)-2-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 70552386
2,4-Dimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118560871
(2R)-4-ethyl-9-[2-(2-fluorophenyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118560963
(2R)-4-ethyl-9-[2-(3-fluorophenyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118560969
(2R)-4-cyclopropyl-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118560973
(2R)-2,4-dimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118560990
2,2,4-Trimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118560993
2-Methyl-9-(2-phenylethyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118561045
(2R)-2-ethyl-4-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118561057
(2R)-4-ethyl-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118561095

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-5-[1-(2-phenylethyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octan-8-one?
The IUPAC name of 7-ethyl-5-[1-(2-phenylethyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octan-8-one (CID 129053734) is 7-ethyl-5-[1-(2-phenylethyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octan-8-one.
What is the SMILES notation for 7-ethyl-5-[1-(2-phenylethyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octan-8-one?
The canonical SMILES for 7-ethyl-5-[1-(2-phenylethyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octan-8-one is CCN1CC(C2CCN(CCc3ccccc3)CC2)OC2(CC2)C1=O.
What is the InChIKey of 7-ethyl-5-[1-(2-phenylethyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octan-8-one?
The InChIKey is AKBWJPVSDFJNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-2-23-16-19(25-21(11-12-21)20(23)24)18-9-14-22(15-10-18)13-8-17-6-4-3-5-7-17/h3-7,18-19H,2,8-16H2,1H3.
What are the key properties of 7-ethyl-5-[1-(2-phenylethyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octan-8-one?
7-ethyl-5-[1-(2-phenylethyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octan-8-one has a molecular weight of 342.48 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-5-[1-(2-phenylethyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octan-8-one is sourced from PubChem (CID 129053734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).