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

C19H24N2O3 — CID 166173688

IUPAC2-[4-(2-methylphenyl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one
SMILESCc1ccccc1C1CCN(C(=O)C2CC3(COC(=O)N3)C2)CC1
InChIInChI=1S/C19H24N2O3/c1-13-4-2-3-5-16(13)14-6-8-21(9-7-14)17(22)15-10-19(11-15)12-24-18(23)20-19/h2-5,14-15H,6-12H2,1H3,(H,20,23)
InChIKeyCIZOKZYOSDNDJI-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.59
Rot. Bonds2

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

2-[4-(2-methylphenyl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one (PubChem CID 166173688) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-[4-(2-methylphenyl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name2-[4-(2-methylphenyl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one
PubChem CID166173688
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name2-[4-(2-methylphenyl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one
SMILESCc1ccccc1C1CCN(C(=O)C2CC3(COC(=O)N3)C2)CC1
InChIInChI=1S/C19H24N2O3/c1-13-4-2-3-5-16(13)14-6-8-21(9-7-14)17(22)15-10-19(11-15)12-24-18(23)20-19/h2-5,14-15H,6-12H2,1H3,(H,20,23)
InChIKeyCIZOKZYOSDNDJI-UHFFFAOYSA-N
XLogP2.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2,4-difluoro-3-methylphenyl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one
CID 156864405
2-[4-(3-cyclobutylphenyl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one
CID 163925345
2-[4-(3-ethyl-4-fluorophenyl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one
CID 156864285
2-[(3S,4S)-3-methyl-4-(3-phenylphenyl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one
CID 156864312
2-[6-(3-cyclopropylphenyl)-2-azaspiro[3.3]heptane-2-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one
CID 166173664
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-[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-[3-[(2,3-difluoro-4-methylphenyl)methoxy]azetidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one
CID 130475895
(4S)-1-methyl-4-[(3S)-3-(2-methylphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 95278838
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-[6-[4-(trifluoromethyl)phenyl]-2-azaspiro[3.4]octane-2-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one
CID 163506930

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylphenyl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one?
The IUPAC name of 2-[4-(2-methylphenyl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one (CID 166173688) is 2-[4-(2-methylphenyl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one.
What is the SMILES notation for 2-[4-(2-methylphenyl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one?
The canonical SMILES for 2-[4-(2-methylphenyl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one is Cc1ccccc1C1CCN(C(=O)C2CC3(COC(=O)N3)C2)CC1.
What is the InChIKey of 2-[4-(2-methylphenyl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one?
The InChIKey is CIZOKZYOSDNDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-13-4-2-3-5-16(13)14-6-8-21(9-7-14)17(22)15-10-19(11-15)12-24-18(23)20-19/h2-5,14-15H,6-12H2,1H3,(H,20,23).
What are the key properties of 2-[4-(2-methylphenyl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one?
2-[4-(2-methylphenyl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one has a molecular weight of 328.41 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylphenyl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one is sourced from PubChem (CID 166173688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).