4-(oxan-4-ylmethyl)-9-(2-phenoxyacetyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one

C22H30N2O5 — CID 134810750

IUPAC4-(oxan-4-ylmethyl)-9-(2-phenoxyacetyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one
SMILESO=C(COc1ccccc1)N1CCC2(CC1)OCCN(CC1CCOCC1)C2=O
InChIInChI=1S/C22H30N2O5/c25-20(17-28-19-4-2-1-3-5-19)23-10-8-22(9-11-23)21(26)24(12-15-29-22)16-18-6-13-27-14-7-18/h1-5,18H,6-17H2
InChIKeyGNWBFBMMAPKHCQ-UHFFFAOYSA-N
MW402.49 g/mol
LogP1.71
Rot. Bonds5

About 4-(oxan-4-ylmethyl)-9-(2-phenoxyacetyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one

4-(oxan-4-ylmethyl)-9-(2-phenoxyacetyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one (PubChem CID 134810750) has the molecular formula C22H30N2O5 and a molecular weight of 402.49 g/mol. Its IUPAC name is 4-(oxan-4-ylmethyl)-9-(2-phenoxyacetyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name4-(oxan-4-ylmethyl)-9-(2-phenoxyacetyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one
PubChem CID134810750
Molecular FormulaC22H30N2O5
Molecular Weight402.49 g/mol
Exact Mass402.22
IUPAC Name4-(oxan-4-ylmethyl)-9-(2-phenoxyacetyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one
SMILESO=C(COc1ccccc1)N1CCC2(CC1)OCCN(CC1CCOCC1)C2=O
InChIInChI=1S/C22H30N2O5/c25-20(17-28-19-4-2-1-3-5-19)23-10-8-22(9-11-23)21(26)24(12-15-29-22)16-18-6-13-27-14-7-18/h1-5,18H,6-17H2
InChIKeyGNWBFBMMAPKHCQ-UHFFFAOYSA-N
XLogP1.71
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(oxan-4-ylmethyl)-9-(2-phenoxyacetyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-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

1-[1-methyl-4-[[(3S)-oxolan-3-yl]methyl]-1,4,9-triazaspiro[5.5]undecan-9-yl]-2-phenoxyethanone
CID 95195325
1-(6-azaspiro[2.5]octan-6-yl)-2-phenoxyethanone
CID 97399323
1'-(2-phenoxyacetyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618073
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-phenoxyethanone
CID 155983602
1-[1-(cyclopropylmethyl)spiro[2,3-dihydro-4,1-benzoxazepine-5,4'-piperidine]-1'-yl]-3-fluoropropan-1-one
CID 131691601
1-[4-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]-2-phenoxyethanone
CID 53150450
(3R)-1-(oxan-4-yl)-3-[4-(2-phenoxyacetyl)piperazin-1-yl]piperidin-2-one
CID 97342885
(5S)-3-ethyl-13-(2-methylpropyl)-9-(2-phenoxyacetyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 97439884
1-morpholin-4-yl-2-[1'-(2-phenoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone
CID 131661049
1-[(5S)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-2-phenoxyethanone
CID 97418516
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-methylphenoxy)ethanone
CID 110755929

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-ylmethyl)-9-(2-phenoxyacetyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one?
The IUPAC name of 4-(oxan-4-ylmethyl)-9-(2-phenoxyacetyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one (CID 134810750) is 4-(oxan-4-ylmethyl)-9-(2-phenoxyacetyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one.
What is the SMILES notation for 4-(oxan-4-ylmethyl)-9-(2-phenoxyacetyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one?
The canonical SMILES for 4-(oxan-4-ylmethyl)-9-(2-phenoxyacetyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one is O=C(COc1ccccc1)N1CCC2(CC1)OCCN(CC1CCOCC1)C2=O.
What is the InChIKey of 4-(oxan-4-ylmethyl)-9-(2-phenoxyacetyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one?
The InChIKey is GNWBFBMMAPKHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O5/c25-20(17-28-19-4-2-1-3-5-19)23-10-8-22(9-11-23)21(26)24(12-15-29-22)16-18-6-13-27-14-7-18/h1-5,18H,6-17H2.
What are the key properties of 4-(oxan-4-ylmethyl)-9-(2-phenoxyacetyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one?
4-(oxan-4-ylmethyl)-9-(2-phenoxyacetyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one has a molecular weight of 402.49 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-ylmethyl)-9-(2-phenoxyacetyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 134810750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).