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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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).