1-azaspiro[4.5]decan-1-yl-[4-(oxan-3-yl)phenyl]methanone

C21H29NO2 — CID 138038642

IUPAC1-azaspiro[4.5]decan-1-yl-[4-(oxan-3-yl)phenyl]methanone
SMILESO=C(c1ccc(C2CCCOC2)cc1)N1CCCC12CCCCC2
InChIInChI=1S/C21H29NO2/c23-20(22-14-5-13-21(22)11-2-1-3-12-21)18-9-7-17(8-10-18)19-6-4-15-24-16-19/h7-10,19H,1-6,11-16H2
InChIKeySBZQPCHZGDAGSY-UHFFFAOYSA-N
MW327.47 g/mol
LogP4.52
Rot. Bonds2

About 1-azaspiro[4.5]decan-1-yl-[4-(oxan-3-yl)phenyl]methanone

1-azaspiro[4.5]decan-1-yl-[4-(oxan-3-yl)phenyl]methanone (PubChem CID 138038642) has the molecular formula C21H29NO2 and a molecular weight of 327.47 g/mol. Its IUPAC name is 1-azaspiro[4.5]decan-1-yl-[4-(oxan-3-yl)phenyl]methanone.

Molecular Properties

Compound Name1-azaspiro[4.5]decan-1-yl-[4-(oxan-3-yl)phenyl]methanone
PubChem CID138038642
Molecular FormulaC21H29NO2
Molecular Weight327.47 g/mol
Exact Mass327.22
IUPAC Name1-azaspiro[4.5]decan-1-yl-[4-(oxan-3-yl)phenyl]methanone
SMILESO=C(c1ccc(C2CCCOC2)cc1)N1CCCC12CCCCC2
InChIInChI=1S/C21H29NO2/c23-20(22-14-5-13-21(22)11-2-1-3-12-21)18-9-7-17(8-10-18)19-6-4-15-24-16-19/h7-10,19H,1-6,11-16H2
InChIKeySBZQPCHZGDAGSY-UHFFFAOYSA-N
XLogP4.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-azaspiro[4.5]decan-1-yl-[4-(oxan-3-yl)phenyl]methanone 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

(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-[4-(oxan-3-yl)phenyl]methanone
CID 138038323
4-(4-cyclohexylbenzoyl)morpholine-3-carboxylic acid
CID 119216482
4-(1-azaspiro[3.3]heptane-1-carbonyl)benzoic acid
CID 119186646
(4-cyclohexylphenyl)-pyrrolidin-1-ylmethanone
CID 78791688
1-[4-(oxolan-3-yl)phenyl]cyclopentane-1-carboxylic acid
CID 117405018
(4-cyclobutylphenyl)-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone
CID 129351779
1,7-diazaspiro[4.4]nonan-1-yl-(4-methylphenyl)methanone
CID 121451704
1-[4-(4-cyclohexylbenzoyl)piperazin-1-yl]ethanone
CID 110761379
morpholin-4-yl-[4-(1-sulfanylpiperidin-4-yl)phenyl]methanone
CID 143305046
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-4-(oxan-3-yl)benzamide
CID 166205987
(9-methyl-1,9-diazaspiro[4.6]undecan-1-yl)-(1-methylpyrrol-3-yl)methanone
CID 131679227
2-[(4-cyclohexylbenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120548745

Frequently Asked Questions

What is the IUPAC name of 1-azaspiro[4.5]decan-1-yl-[4-(oxan-3-yl)phenyl]methanone?
The IUPAC name of 1-azaspiro[4.5]decan-1-yl-[4-(oxan-3-yl)phenyl]methanone (CID 138038642) is 1-azaspiro[4.5]decan-1-yl-[4-(oxan-3-yl)phenyl]methanone.
What is the SMILES notation for 1-azaspiro[4.5]decan-1-yl-[4-(oxan-3-yl)phenyl]methanone?
The canonical SMILES for 1-azaspiro[4.5]decan-1-yl-[4-(oxan-3-yl)phenyl]methanone is O=C(c1ccc(C2CCCOC2)cc1)N1CCCC12CCCCC2.
What is the InChIKey of 1-azaspiro[4.5]decan-1-yl-[4-(oxan-3-yl)phenyl]methanone?
The InChIKey is SBZQPCHZGDAGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO2/c23-20(22-14-5-13-21(22)11-2-1-3-12-21)18-9-7-17(8-10-18)19-6-4-15-24-16-19/h7-10,19H,1-6,11-16H2.
What are the key properties of 1-azaspiro[4.5]decan-1-yl-[4-(oxan-3-yl)phenyl]methanone?
1-azaspiro[4.5]decan-1-yl-[4-(oxan-3-yl)phenyl]methanone has a molecular weight of 327.47 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azaspiro[4.5]decan-1-yl-[4-(oxan-3-yl)phenyl]methanone is sourced from PubChem (CID 138038642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).