2-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C22H33N3O3 — CID 154236709

IUPAC2-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC(C)N1CCC(Oc2ccc(C3OC4(CCNCC4)CNC3=O)cc2)CC1
InChIInChI=1S/C22H33N3O3/c1-16(2)25-13-7-19(8-14-25)27-18-5-3-17(4-6-18)20-21(26)24-15-22(28-20)9-11-23-12-10-22/h3-6,16,19-20,23H,7-15H2,1-2H3,(H,24,26)
InChIKeySCTQCOZSAXLUEU-UHFFFAOYSA-N
MW387.52 g/mol
LogP2.25
Rot. Bonds4

About 2-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

2-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 154236709) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is 2-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID154236709
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC Name2-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC(C)N1CCC(Oc2ccc(C3OC4(CCNCC4)CNC3=O)cc2)CC1
InChIInChI=1S/C22H33N3O3/c1-16(2)25-13-7-19(8-14-25)27-18-5-3-17(4-6-18)20-21(26)24-15-22(28-20)9-11-23-12-10-22/h3-6,16,19-20,23H,7-15H2,1-2H3,(H,24,26)
InChIKeySCTQCOZSAXLUEU-UHFFFAOYSA-N
XLogP2.25
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-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

7-(1-propan-2-ylpiperidin-4-yl)oxy-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 10266140
4-(4-piperidin-1-ylphenoxy)-1-propan-2-ylpiperidine
CID 141090677
N-methyl-4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-amine
CID 154379731
4-(6-methoxy-3-pyridinyl)-9-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 66783972
morpholin-4-yl-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazin-1-yl]methanone
CID 59250205
4-(1-methylcyclohexanecarbonyl)-1-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazin-2-one
CID 15986819
1-propan-2-yl-3-(4-propan-2-ylphenoxy)pyrrolidine
CID 130267989
2-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]-1,2-thiazolidine
CID 90897078
N-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]pyridin-3-amine;4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperidine-4-carbonitrile
CID 158102766
N-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]pyridin-2-amine
CID 59837502
4-(4-propan-2-yloxyphenoxy)piperidine
CID 89453291
morpholin-2-yl-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone
CID 67317473

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 154236709) is 2-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CC(C)N1CCC(Oc2ccc(C3OC4(CCNCC4)CNC3=O)cc2)CC1.
What is the InChIKey of 2-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is SCTQCOZSAXLUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-16(2)25-13-7-19(8-14-25)27-18-5-3-17(4-6-18)20-21(26)24-15-22(28-20)9-11-23-12-10-22/h3-6,16,19-20,23H,7-15H2,1-2H3,(H,24,26).
What are the key properties of 2-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
2-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 387.52 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 154236709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).