2-methyl-4-phenyl-9-(2-pyridin-4-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C22H27N3O2 — CID 118567672

IUPAC2-methyl-4-phenyl-9-(2-pyridin-4-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC1OC2(CCN(CCc3ccncc3)CC2)CN(c2ccccc2)C1=O
InChIInChI=1S/C22H27N3O2/c1-18-21(26)25(20-5-3-2-4-6-20)17-22(27-18)10-15-24(16-11-22)14-9-19-7-12-23-13-8-19/h2-8,12-13,18H,9-11,14-17H2,1H3
InChIKeyPIOCDECZIQSCFV-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.91
Rot. Bonds4

About 2-methyl-4-phenyl-9-(2-pyridin-4-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

2-methyl-4-phenyl-9-(2-pyridin-4-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 118567672) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-methyl-4-phenyl-9-(2-pyridin-4-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-methyl-4-phenyl-9-(2-pyridin-4-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID118567672
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name2-methyl-4-phenyl-9-(2-pyridin-4-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC1OC2(CCN(CCc3ccncc3)CC2)CN(c2ccccc2)C1=O
InChIInChI=1S/C22H27N3O2/c1-18-21(26)25(20-5-3-2-4-6-20)17-22(27-18)10-15-24(16-11-22)14-9-19-7-12-23-13-8-19/h2-8,12-13,18H,9-11,14-17H2,1H3
InChIKeyPIOCDECZIQSCFV-UHFFFAOYSA-N
XLogP2.91
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenyl-9-(2-pyridin-4-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-methyl-4-phenyl-9-(2-pyridin-4-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 118567672) is 2-methyl-4-phenyl-9-(2-pyridin-4-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-methyl-4-phenyl-9-(2-pyridin-4-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-methyl-4-phenyl-9-(2-pyridin-4-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CC1OC2(CCN(CCc3ccncc3)CC2)CN(c2ccccc2)C1=O.
What is the InChIKey of 2-methyl-4-phenyl-9-(2-pyridin-4-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is PIOCDECZIQSCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-18-21(26)25(20-5-3-2-4-6-20)17-22(27-18)10-15-24(16-11-22)14-9-19-7-12-23-13-8-19/h2-8,12-13,18H,9-11,14-17H2,1H3.
What are the key properties of 2-methyl-4-phenyl-9-(2-pyridin-4-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
2-methyl-4-phenyl-9-(2-pyridin-4-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 365.48 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenyl-9-(2-pyridin-4-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 118567672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).