2-[4-(3-ethyl-4-fluorophenyl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one

C20H25FN2O3 — CID 156864285

IUPAC2-[4-(3-ethyl-4-fluorophenyl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one
SMILESCCc1cc(C2CCN(C(=O)C3CC4(COC(=O)N4)C3)CC2)ccc1F
InChIInChI=1S/C20H25FN2O3/c1-2-13-9-15(3-4-17(13)21)14-5-7-23(8-6-14)18(24)16-10-20(11-16)12-26-19(25)22-20/h3-4,9,14,16H,2,5-8,10-12H2,1H3,(H,22,25)
InChIKeyRDXZVOWOXRKWEA-UHFFFAOYSA-N
MW360.43 g/mol
LogP2.98
Rot. Bonds3

About 2-[4-(3-ethyl-4-fluorophenyl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one

2-[4-(3-ethyl-4-fluorophenyl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one (PubChem CID 156864285) has the molecular formula C20H25FN2O3 and a molecular weight of 360.43 g/mol. Its IUPAC name is 2-[4-(3-ethyl-4-fluorophenyl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name2-[4-(3-ethyl-4-fluorophenyl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one
PubChem CID156864285
Molecular FormulaC20H25FN2O3
Molecular Weight360.43 g/mol
Exact Mass360.18
IUPAC Name2-[4-(3-ethyl-4-fluorophenyl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one
SMILESCCc1cc(C2CCN(C(=O)C3CC4(COC(=O)N4)C3)CC2)ccc1F
InChIInChI=1S/C20H25FN2O3/c1-2-13-9-15(3-4-17(13)21)14-5-7-23(8-6-14)18(24)16-10-20(11-16)12-26-19(25)22-20/h3-4,9,14,16H,2,5-8,10-12H2,1H3,(H,22,25)
InChIKeyRDXZVOWOXRKWEA-UHFFFAOYSA-N
XLogP2.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(3-ethyl-4-fluorophenyl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one with MolForge

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Related Compounds

2-[4-[1-(4-cyclopropyl-2-fluorophenoxy)ethyl]piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one
CID 130475959
2-[4-(3-cyclobutylphenyl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one
CID 163925345
2-[4-(2,4-difluoro-3-methylphenyl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one
CID 156864405
2-[4-(2-methylphenyl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one
CID 166173688
2-[6-(3-cyclopropylphenyl)-2-azaspiro[3.3]heptane-2-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one
CID 166173664
(5R)-5-[(1R,5S)-6-(3-ethyl-4-fluorophenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-1,3-oxazocan-2-one
CID 166718734
2-[(2R,4S)-4-(3-tert-butylphenyl)-2-methylpiperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one
CID 166767470
2-[4-(3-tert-butylphenyl)-2-methylpiperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one
CID 174218638
2-[4-(4-butan-2-ylphenyl)piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one
CID 156864450
(8R)-2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]-8-methyl-7-oxa-5-azaspiro[3.4]octan-6-one
CID 156864446
2-[(3S,4S)-3-methyl-4-(3-phenylphenyl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one
CID 156864312
2-[3-[(2,3-difluoro-4-methylphenyl)methoxy]azetidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one
CID 130475895

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-ethyl-4-fluorophenyl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one?
The IUPAC name of 2-[4-(3-ethyl-4-fluorophenyl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one (CID 156864285) is 2-[4-(3-ethyl-4-fluorophenyl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one.
What is the SMILES notation for 2-[4-(3-ethyl-4-fluorophenyl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one?
The canonical SMILES for 2-[4-(3-ethyl-4-fluorophenyl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one is CCc1cc(C2CCN(C(=O)C3CC4(COC(=O)N4)C3)CC2)ccc1F.
What is the InChIKey of 2-[4-(3-ethyl-4-fluorophenyl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one?
The InChIKey is RDXZVOWOXRKWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3/c1-2-13-9-15(3-4-17(13)21)14-5-7-23(8-6-14)18(24)16-10-20(11-16)12-26-19(25)22-20/h3-4,9,14,16H,2,5-8,10-12H2,1H3,(H,22,25).
What are the key properties of 2-[4-(3-ethyl-4-fluorophenyl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one?
2-[4-(3-ethyl-4-fluorophenyl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one has a molecular weight of 360.43 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-ethyl-4-fluorophenyl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one is sourced from PubChem (CID 156864285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).