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

C23H29FN2O4 — CID 130475959

IUPAC2-[4-[1-(4-cyclopropyl-2-fluorophenoxy)ethyl]piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one
SMILESCC(Oc1ccc(C2CC2)cc1F)C1CCN(C(=O)C2CC3(COC(=O)N3)C2)CC1
InChIInChI=1S/C23H29FN2O4/c1-14(30-20-5-4-17(10-19(20)24)16-2-3-16)15-6-8-26(9-7-15)21(27)18-11-23(12-18)13-29-22(28)25-23/h4-5,10,14-16,18H,2-3,6-9,11-13H2,1H3,(H,25,28)
InChIKeyDCWDYJDFSQGWPZ-UHFFFAOYSA-N
MW416.49 g/mol
LogP3.60
Rot. Bonds5

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

2-[4-[1-(4-cyclopropyl-2-fluorophenoxy)ethyl]piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one (PubChem CID 130475959) has the molecular formula C23H29FN2O4 and a molecular weight of 416.49 g/mol. Its IUPAC name is 2-[4-[1-(4-cyclopropyl-2-fluorophenoxy)ethyl]piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name2-[4-[1-(4-cyclopropyl-2-fluorophenoxy)ethyl]piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one
PubChem CID130475959
Molecular FormulaC23H29FN2O4
Molecular Weight416.49 g/mol
Exact Mass416.21
IUPAC Name2-[4-[1-(4-cyclopropyl-2-fluorophenoxy)ethyl]piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one
SMILESCC(Oc1ccc(C2CC2)cc1F)C1CCN(C(=O)C2CC3(COC(=O)N3)C2)CC1
InChIInChI=1S/C23H29FN2O4/c1-14(30-20-5-4-17(10-19(20)24)16-2-3-16)15-6-8-26(9-7-15)21(27)18-11-23(12-18)13-29-22(28)25-23/h4-5,10,14-16,18H,2-3,6-9,11-13H2,1H3,(H,25,28)
InChIKeyDCWDYJDFSQGWPZ-UHFFFAOYSA-N
XLogP3.60
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-[4-(3-ethyl-4-fluorophenyl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one
CID 156864285
2-[4-(3-cyclobutylphenyl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one
CID 163925345
2-[hydroxy-[4-[1-(2,4,5-trifluorophenoxy)ethyl]piperidin-1-yl]methyl]-7-oxa-5-azaspiro[3.4]octan-6-one
CID 145377156
2-[4-(2,4-difluoro-3-methylphenyl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one
CID 156864405
2-[6-(3-cyclopropylphenyl)-2-azaspiro[3.3]heptane-2-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one
CID 166173664
2-[4-(2-methylphenyl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one
CID 166173688
2-[4-(4-butan-2-ylphenyl)piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one
CID 156864450
2-[4-(3-tert-butylphenyl)-2-methylpiperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one
CID 174218638
2-[(2R,4S)-4-(3-tert-butylphenyl)-2-methylpiperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one
CID 166767470
2-[(3S,4S)-3-methyl-4-(3-phenylphenyl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one
CID 156864312
2-[6-[4-(trifluoromethyl)phenyl]-2-azaspiro[3.4]octane-2-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one
CID 163506930
2-[1-(3-fluoro-4-methylphenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one
CID 156825667

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(4-cyclopropyl-2-fluorophenoxy)ethyl]piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one?
The IUPAC name of 2-[4-[1-(4-cyclopropyl-2-fluorophenoxy)ethyl]piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one (CID 130475959) is 2-[4-[1-(4-cyclopropyl-2-fluorophenoxy)ethyl]piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one.
What is the SMILES notation for 2-[4-[1-(4-cyclopropyl-2-fluorophenoxy)ethyl]piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one?
The canonical SMILES for 2-[4-[1-(4-cyclopropyl-2-fluorophenoxy)ethyl]piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one is CC(Oc1ccc(C2CC2)cc1F)C1CCN(C(=O)C2CC3(COC(=O)N3)C2)CC1.
What is the InChIKey of 2-[4-[1-(4-cyclopropyl-2-fluorophenoxy)ethyl]piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one?
The InChIKey is DCWDYJDFSQGWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O4/c1-14(30-20-5-4-17(10-19(20)24)16-2-3-16)15-6-8-26(9-7-15)21(27)18-11-23(12-18)13-29-22(28)25-23/h4-5,10,14-16,18H,2-3,6-9,11-13H2,1H3,(H,25,28).
What are the key properties of 2-[4-[1-(4-cyclopropyl-2-fluorophenoxy)ethyl]piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one?
2-[4-[1-(4-cyclopropyl-2-fluorophenoxy)ethyl]piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one has a molecular weight of 416.49 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(4-cyclopropyl-2-fluorophenoxy)ethyl]piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one is sourced from PubChem (CID 130475959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).