10-(1,4-dimethylpiperidine-4-carbonyl)-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one

C23H33N3O3 — CID 155986368

IUPAC10-(1,4-dimethylpiperidine-4-carbonyl)-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
SMILESCN1CCC(C)(C(=O)N2CCCC3(CC2)CN(c2ccccc2)C(=O)CO3)CC1
InChIInChI=1S/C23H33N3O3/c1-22(10-14-24(2)15-11-22)21(28)25-13-6-9-23(12-16-25)18-26(20(27)17-29-23)19-7-4-3-5-8-19/h3-5,7-8H,6,9-18H2,1-2H3
InChIKeyZAXLNTRKRIJHIU-UHFFFAOYSA-N
MW399.54 g/mol
LogP2.53
Rot. Bonds2

About 10-(1,4-dimethylpiperidine-4-carbonyl)-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one

10-(1,4-dimethylpiperidine-4-carbonyl)-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one (PubChem CID 155986368) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is 10-(1,4-dimethylpiperidine-4-carbonyl)-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one.

Molecular Properties

Compound Name10-(1,4-dimethylpiperidine-4-carbonyl)-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
PubChem CID155986368
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC Name10-(1,4-dimethylpiperidine-4-carbonyl)-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
SMILESCN1CCC(C)(C(=O)N2CCCC3(CC2)CN(c2ccccc2)C(=O)CO3)CC1
InChIInChI=1S/C23H33N3O3/c1-22(10-14-24(2)15-11-22)21(28)25-13-6-9-23(12-16-25)18-26(20(27)17-29-23)19-7-4-3-5-8-19/h3-5,7-8H,6,9-18H2,1-2H3
InChIKeyZAXLNTRKRIJHIU-UHFFFAOYSA-N
XLogP2.53
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-(1,4-dimethylpiperidine-4-carbonyl)-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-fluorophenyl)-9-(1-methylcyclohexanecarbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155986011
10-(2-methoxy-2-methylpropanoyl)-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155986252
4-phenyl-8-propanoyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155986157
10-[1-(3-fluorophenyl)cyclopentanecarbonyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 132772818
10-[3-(3-methylpyrazol-1-yl)propanoyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155999641
(6S)-10-(2-anilinobenzoyl)-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 129454295
10-(2,2-diphenylacetyl)-4-(4-fluorophenyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 110150099
9-(2-methoxy-2-methylpropanoyl)-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985877
9-[2-(2-methylphenyl)acetyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155999107
8-[3-(azepan-1-yl)propanoyl]-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999557
10-[3-(3,5-dimethylpyrazol-1-yl)benzoyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 110151048
10-[2-(2-oxopyrimidin-1-yl)acetyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155986363

Frequently Asked Questions

What is the IUPAC name of 10-(1,4-dimethylpiperidine-4-carbonyl)-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The IUPAC name of 10-(1,4-dimethylpiperidine-4-carbonyl)-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one (CID 155986368) is 10-(1,4-dimethylpiperidine-4-carbonyl)-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one.
What is the SMILES notation for 10-(1,4-dimethylpiperidine-4-carbonyl)-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The canonical SMILES for 10-(1,4-dimethylpiperidine-4-carbonyl)-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one is CN1CCC(C)(C(=O)N2CCCC3(CC2)CN(c2ccccc2)C(=O)CO3)CC1.
What is the InChIKey of 10-(1,4-dimethylpiperidine-4-carbonyl)-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The InChIKey is ZAXLNTRKRIJHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3/c1-22(10-14-24(2)15-11-22)21(28)25-13-6-9-23(12-16-25)18-26(20(27)17-29-23)19-7-4-3-5-8-19/h3-5,7-8H,6,9-18H2,1-2H3.
What are the key properties of 10-(1,4-dimethylpiperidine-4-carbonyl)-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
10-(1,4-dimethylpiperidine-4-carbonyl)-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one has a molecular weight of 399.54 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(1,4-dimethylpiperidine-4-carbonyl)-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one is sourced from PubChem (CID 155986368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).