3-cyclohexyl-1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one

C17H29NO3 — CID 90510415

IUPAC3-cyclohexyl-1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one
SMILESO=C(CCC1CCCCC1)N1CCC2(CC1)OCCCO2
InChIInChI=1S/C17H29NO3/c19-16(8-7-15-5-2-1-3-6-15)18-11-9-17(10-12-18)20-13-4-14-21-17/h15H,1-14H2
InChIKeyOOQRUJGNOXULSG-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.10
Rot. Bonds3

About 3-cyclohexyl-1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one

3-cyclohexyl-1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one (PubChem CID 90510415) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 3-cyclohexyl-1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one.

Molecular Properties

Compound Name3-cyclohexyl-1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one
PubChem CID90510415
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name3-cyclohexyl-1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one
SMILESO=C(CCC1CCCCC1)N1CCC2(CC1)OCCCO2
InChIInChI=1S/C17H29NO3/c19-16(8-7-15-5-2-1-3-6-15)18-11-9-17(10-12-18)20-13-4-14-21-17/h15H,1-14H2
InChIKeyOOQRUJGNOXULSG-UHFFFAOYSA-N
XLogP3.10
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-cyclohexyl-1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)propan-1-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

3-cyclopentyl-1-[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 5202328
4-(3-cyclohexylpropanoyl)-1,4-diazepane-1-carboxylic acid
CID 67493280
3-(cyclopentylamino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
CID 109013639
1-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-3-cyclohexylpropan-1-one;hydrochloride
CID 119743478
1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)octan-1-one
CID 122136542
1-[4-(2-chloroacetyl)piperazin-1-yl]-3-cyclohexylpropan-1-one
CID 108569580
3-cyclopentyl-1-(4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one
CID 91919085
4-(3-cyclopentylpropanoyl)-1,4-diazepane-1-carboxamide
CID 143680696
1-(3-cyclohexylpropanoyl)-4-phenylpiperidine-4-carboxylic acid
CID 45338210
3-cyclohexyl-1-(4-hydroxy-4-phenylpiperidin-1-yl)propan-1-one
CID 110185891
1-(3-cyclohexylpropanoyl)piperidine-4-carboxamide
CID 17312024
4-cyclohexyl-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one
CID 80707393

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one?
The IUPAC name of 3-cyclohexyl-1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one (CID 90510415) is 3-cyclohexyl-1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one.
What is the SMILES notation for 3-cyclohexyl-1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one?
The canonical SMILES for 3-cyclohexyl-1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one is O=C(CCC1CCCCC1)N1CCC2(CC1)OCCCO2.
What is the InChIKey of 3-cyclohexyl-1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one?
The InChIKey is OOQRUJGNOXULSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c19-16(8-7-15-5-2-1-3-6-15)18-11-9-17(10-12-18)20-13-4-14-21-17/h15H,1-14H2.
What are the key properties of 3-cyclohexyl-1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one?
3-cyclohexyl-1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one has a molecular weight of 295.42 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one is sourced from PubChem (CID 90510415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).