2-[4-(2,4-difluoro-3-methylphenyl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one

C19H22F2N2O3 — CID 156864405

IUPAC2-[4-(2,4-difluoro-3-methylphenyl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one
SMILESCc1c(F)ccc(C2CCN(C(=O)C3CC4(COC(=O)N4)C3)CC2)c1F
InChIInChI=1S/C19H22F2N2O3/c1-11-15(20)3-2-14(16(11)21)12-4-6-23(7-5-12)17(24)13-8-19(9-13)10-26-18(25)22-19/h2-3,12-13H,4-10H2,1H3,(H,22,25)
InChIKeyVSMZVKKQVGSDGR-UHFFFAOYSA-N
MW364.39 g/mol
LogP2.87
Rot. Bonds2

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

2-[4-(2,4-difluoro-3-methylphenyl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one (PubChem CID 156864405) has the molecular formula C19H22F2N2O3 and a molecular weight of 364.39 g/mol. Its IUPAC name is 2-[4-(2,4-difluoro-3-methylphenyl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name2-[4-(2,4-difluoro-3-methylphenyl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one
PubChem CID156864405
Molecular FormulaC19H22F2N2O3
Molecular Weight364.39 g/mol
Exact Mass364.16
IUPAC Name2-[4-(2,4-difluoro-3-methylphenyl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one
SMILESCc1c(F)ccc(C2CCN(C(=O)C3CC4(COC(=O)N4)C3)CC2)c1F
InChIInChI=1S/C19H22F2N2O3/c1-11-15(20)3-2-14(16(11)21)12-4-6-23(7-5-12)17(24)13-8-19(9-13)10-26-18(25)22-19/h2-3,12-13H,4-10H2,1H3,(H,22,25)
InChIKeyVSMZVKKQVGSDGR-UHFFFAOYSA-N
XLogP2.87
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

2-[4-(2-methylphenyl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one
CID 166173688
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-[4-[1-(4-cyclopropyl-2-fluorophenoxy)ethyl]piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one
CID 130475959
2-[4-[[2-fluoro-4-(trifluoromethyl)phenoxy]methyl]piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one
CID 130475869
2-[6-(3-cyclopropylphenyl)-2-azaspiro[3.3]heptane-2-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one
CID 166173664
2-[3-[(2,3-difluoro-4-methylphenyl)methoxy]azetidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one
CID 130475895
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
2-[4-(3-tert-butylphenyl)-2-methylpiperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one
CID 174218638
2-[2-(6-tert-butyl-2-pyridinyl)-7-azaspiro[3.5]nonane-7-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one
CID 163954486
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-difluoro-3-methylphenyl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one?
The IUPAC name of 2-[4-(2,4-difluoro-3-methylphenyl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one (CID 156864405) is 2-[4-(2,4-difluoro-3-methylphenyl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one.
What is the SMILES notation for 2-[4-(2,4-difluoro-3-methylphenyl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one?
The canonical SMILES for 2-[4-(2,4-difluoro-3-methylphenyl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one is Cc1c(F)ccc(C2CCN(C(=O)C3CC4(COC(=O)N4)C3)CC2)c1F.
What is the InChIKey of 2-[4-(2,4-difluoro-3-methylphenyl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one?
The InChIKey is VSMZVKKQVGSDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O3/c1-11-15(20)3-2-14(16(11)21)12-4-6-23(7-5-12)17(24)13-8-19(9-13)10-26-18(25)22-19/h2-3,12-13H,4-10H2,1H3,(H,22,25).
What are the key properties of 2-[4-(2,4-difluoro-3-methylphenyl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one?
2-[4-(2,4-difluoro-3-methylphenyl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one has a molecular weight of 364.39 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-difluoro-3-methylphenyl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one is sourced from PubChem (CID 156864405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).