3-cyclopentyl-1-(4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one

C21H36N2O3 — CID 91919085

IUPAC3-cyclopentyl-1-(4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one
SMILESO=C(CCC1CCCC1)N1CCC2(CC1)CC(N1CCOCC1)CCO2
InChIInChI=1S/C21H36N2O3/c24-20(6-5-18-3-1-2-4-18)23-10-8-21(9-11-23)17-19(7-14-26-21)22-12-15-25-16-13-22/h18-19H,1-17H2
InChIKeyHZXZHGNITVLFRM-UHFFFAOYSA-N
MW364.53 g/mol
LogP2.83
Rot. Bonds4

About 3-cyclopentyl-1-(4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one

3-cyclopentyl-1-(4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one (PubChem CID 91919085) has the molecular formula C21H36N2O3 and a molecular weight of 364.53 g/mol. Its IUPAC name is 3-cyclopentyl-1-(4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-(4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one
PubChem CID91919085
Molecular FormulaC21H36N2O3
Molecular Weight364.53 g/mol
Exact Mass364.27
IUPAC Name3-cyclopentyl-1-(4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one
SMILESO=C(CCC1CCCC1)N1CCC2(CC1)CC(N1CCOCC1)CCO2
InChIInChI=1S/C21H36N2O3/c24-20(6-5-18-3-1-2-4-18)23-10-8-21(9-11-23)17-19(7-14-26-21)22-12-15-25-16-13-22/h18-19H,1-17H2
InChIKeyHZXZHGNITVLFRM-UHFFFAOYSA-N
XLogP2.83
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-acetylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-cyclopentylethanone
CID 91924298
N-cyclopentyl-4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91919078
N-ethyl-4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91919079
2-cyclopentyl-1-[(4S)-4-[4-(2-methylpropyl)piperazin-1-yl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 125462412
3-[1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidin-4-yl]propanoic acid
CID 79901129
3-cyclohexyl-1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one
CID 90510415
3-phenyl-1-[(4S)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]propan-1-one
CID 125462444
2-phenyl-1-[(4R)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 125462353
1-(3-morpholin-4-ylpyrrolidin-1-yl)-3-piperidin-4-ylpropan-1-one
CID 63172005
2-cyclopentyloxy-1-[(5S,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]ethanone
CID 124785723
3-cyclopentyl-1-[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 5202328
1-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-4-yl]ethanone
CID 79905880

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-(4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one?
The IUPAC name of 3-cyclopentyl-1-(4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one (CID 91919085) is 3-cyclopentyl-1-(4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-(4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-(4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one is O=C(CCC1CCCC1)N1CCC2(CC1)CC(N1CCOCC1)CCO2.
What is the InChIKey of 3-cyclopentyl-1-(4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one?
The InChIKey is HZXZHGNITVLFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2O3/c24-20(6-5-18-3-1-2-4-18)23-10-8-21(9-11-23)17-19(7-14-26-21)22-12-15-25-16-13-22/h18-19H,1-17H2.
What are the key properties of 3-cyclopentyl-1-(4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one?
3-cyclopentyl-1-(4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one has a molecular weight of 364.53 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-(4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one is sourced from PubChem (CID 91919085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).