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

C20H27FN2O2 — CID 129073954

IUPAC7-ethyl-5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octan-8-one
SMILESCCN1CC(C2CCN(Cc3ccc(F)cc3)CC2)OC2(CC2)C1=O
InChIInChI=1S/C20H27FN2O2/c1-2-23-14-18(25-20(9-10-20)19(23)24)16-7-11-22(12-8-16)13-15-3-5-17(21)6-4-15/h3-6,16,18H,2,7-14H2,1H3
InChIKeyUPHSHSDRSCBYPX-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.82
Rot. Bonds4

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

7-ethyl-5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octan-8-one (PubChem CID 129073954) has the molecular formula C20H27FN2O2 and a molecular weight of 346.45 g/mol. Its IUPAC name is 7-ethyl-5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octan-8-one.

Molecular Properties

Compound Name7-ethyl-5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octan-8-one
PubChem CID129073954
Molecular FormulaC20H27FN2O2
Molecular Weight346.45 g/mol
Exact Mass346.21
IUPAC Name7-ethyl-5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octan-8-one
SMILESCCN1CC(C2CCN(Cc3ccc(F)cc3)CC2)OC2(CC2)C1=O
InChIInChI=1S/C20H27FN2O2/c1-2-23-14-18(25-20(9-10-20)19(23)24)16-7-11-22(12-8-16)13-15-3-5-17(21)6-4-15/h3-6,16,18H,2,7-14H2,1H3
InChIKeyUPHSHSDRSCBYPX-UHFFFAOYSA-N
XLogP2.82
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-ethyl-5-[1-[(4-fluorophenyl)methyl]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-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
4-Ethyl-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118561097

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octan-8-one?
The IUPAC name of 7-ethyl-5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octan-8-one (CID 129073954) is 7-ethyl-5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octan-8-one.
What is the SMILES notation for 7-ethyl-5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octan-8-one?
The canonical SMILES for 7-ethyl-5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octan-8-one is CCN1CC(C2CCN(Cc3ccc(F)cc3)CC2)OC2(CC2)C1=O.
What is the InChIKey of 7-ethyl-5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octan-8-one?
The InChIKey is UPHSHSDRSCBYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O2/c1-2-23-14-18(25-20(9-10-20)19(23)24)16-7-11-22(12-8-16)13-15-3-5-17(21)6-4-15/h3-6,16,18H,2,7-14H2,1H3.
What are the key properties of 7-ethyl-5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octan-8-one?
7-ethyl-5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octan-8-one has a molecular weight of 346.45 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octan-8-one is sourced from PubChem (CID 129073954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).