9-[2-(4-chlorophenyl)acetyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C22H23ClN2O3 — CID 155986070

IUPAC9-[2-(4-chlorophenyl)acetyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C(Cc1ccc(Cl)cc1)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2
InChIInChI=1S/C22H23ClN2O3/c23-18-8-6-17(7-9-18)14-20(26)24-12-10-22(11-13-24)16-25(21(27)15-28-22)19-4-2-1-3-5-19/h1-9H,10-16H2
InChIKeyNBFVXEZYZVLSIQ-UHFFFAOYSA-N
MW398.89 g/mol
LogP3.31
Rot. Bonds3

About 9-[2-(4-chlorophenyl)acetyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-[2-(4-chlorophenyl)acetyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 155986070) has the molecular formula C22H23ClN2O3 and a molecular weight of 398.89 g/mol. Its IUPAC name is 9-[2-(4-chlorophenyl)acetyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[2-(4-chlorophenyl)acetyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID155986070
Molecular FormulaC22H23ClN2O3
Molecular Weight398.89 g/mol
Exact Mass398.14
IUPAC Name9-[2-(4-chlorophenyl)acetyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C(Cc1ccc(Cl)cc1)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2
InChIInChI=1S/C22H23ClN2O3/c23-18-8-6-17(7-9-18)14-20(26)24-12-10-22(11-13-24)16-25(21(27)15-28-22)19-4-2-1-3-5-19/h1-9H,10-16H2
InChIKeyNBFVXEZYZVLSIQ-UHFFFAOYSA-N
XLogP3.31
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[2-(2-methylphenyl)acetyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155999107
4-phenyl-9-(3-phenylpropanoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155986038
8-[2-(4-fluorophenyl)acetyl]-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999479
9-[(2-chlorophenyl)methyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155986013
8-[2-(2-fluorophenyl)acetyl]-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999463
9-[(2-fluorophenyl)methyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985914
9-[4-(2-methylimidazol-1-yl)butanoyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155999145
9-(2-methoxy-2-methylpropanoyl)-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985877
9-[2-(2-ethylimidazol-1-yl)acetyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155986058
10-[2-(2-oxopyrimidin-1-yl)acetyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155986363
4-phenyl-8-propanoyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155986157
10-[3-(3-methylpyrazol-1-yl)propanoyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155999641

Frequently Asked Questions

What is the IUPAC name of 9-[2-(4-chlorophenyl)acetyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[2-(4-chlorophenyl)acetyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 155986070) is 9-[2-(4-chlorophenyl)acetyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[2-(4-chlorophenyl)acetyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[2-(4-chlorophenyl)acetyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is O=C(Cc1ccc(Cl)cc1)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2.
What is the InChIKey of 9-[2-(4-chlorophenyl)acetyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is NBFVXEZYZVLSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O3/c23-18-8-6-17(7-9-18)14-20(26)24-12-10-22(11-13-24)16-25(21(27)15-28-22)19-4-2-1-3-5-19/h1-9H,10-16H2.
What are the key properties of 9-[2-(4-chlorophenyl)acetyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-[2-(4-chlorophenyl)acetyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 398.89 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(4-chlorophenyl)acetyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 155986070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).