[3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-3-en-7-yl]-cyclopropylmethanone

C22H28N2O4 — CID 91270856

IUPAC[3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-3-en-7-yl]-cyclopropylmethanone
SMILESCOc1ccc(C2=CC3(CCN(C(=O)C4CC4)C3)ON2)cc1OC1CCCC1
InChIInChI=1S/C22H28N2O4/c1-26-19-9-8-16(12-20(19)27-17-4-2-3-5-17)18-13-22(28-23-18)10-11-24(14-22)21(25)15-6-7-15/h8-9,12-13,15,17,23H,2-7,10-11,14H2,1H3
InChIKeyZRFZUPIABJJRKD-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.27
Rot. Bonds5

About [3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-3-en-7-yl]-cyclopropylmethanone

[3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-3-en-7-yl]-cyclopropylmethanone (PubChem CID 91270856) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is [3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-3-en-7-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-3-en-7-yl]-cyclopropylmethanone
PubChem CID91270856
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name[3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-3-en-7-yl]-cyclopropylmethanone
SMILESCOc1ccc(C2=CC3(CCN(C(=O)C4CC4)C3)ON2)cc1OC1CCCC1
InChIInChI=1S/C22H28N2O4/c1-26-19-9-8-16(12-20(19)27-17-4-2-3-5-17)18-13-22(28-23-18)10-11-24(14-22)21(25)15-6-7-15/h8-9,12-13,15,17,23H,2-7,10-11,14H2,1H3
InChIKeyZRFZUPIABJJRKD-UHFFFAOYSA-N
XLogP3.27
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-3-en-7-yl]-(oxolan-3-yl)methanone
CID 91536341
N-butyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-3-ene-9-carboxamide
CID 91434651
1-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-2H-1,2-oxazole-5-carbonyl]piperidin-4-one
CID 91203231
1-butyl-1-[3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2-azaspiro[4.5]dec-3-en-8-yl]urea
CID 90922806
cyclopropyl-[4-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)phenoxy]piperidin-1-yl]methanone
CID 91423051
3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-5-piperazin-1-yl-2H-1,2-oxazole
CID 91531973
[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-2H-1,2-oxazol-5-yl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 91432284
7-(3-cyclopentyloxy-4-methoxyphenyl)-5-oxa-6-azaspiro[3.5]non-7-ene
CID 91494855
3-(3-cycloheptyloxy-4-cyclopentyloxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-3-ene
CID 91294469
1-[5-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-2H-1,2-oxazol-5-yl]-2-ethyl-2-methyl-1,3,4-oxadiazol-3-yl]ethanone
CID 91117618
1-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-[2-(hydroxymethyl)piperidine-1-carbonyl]-2H-1,2-oxazol-5-yl]-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 91324963
[2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-2H-1,2-oxazol-5-yl]-2-iminoethyl] acetate
CID 90729149

Frequently Asked Questions

What is the IUPAC name of [3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-3-en-7-yl]-cyclopropylmethanone?
The IUPAC name of [3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-3-en-7-yl]-cyclopropylmethanone (CID 91270856) is [3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-3-en-7-yl]-cyclopropylmethanone.
What is the SMILES notation for [3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-3-en-7-yl]-cyclopropylmethanone?
The canonical SMILES for [3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-3-en-7-yl]-cyclopropylmethanone is COc1ccc(C2=CC3(CCN(C(=O)C4CC4)C3)ON2)cc1OC1CCCC1.
What is the InChIKey of [3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-3-en-7-yl]-cyclopropylmethanone?
The InChIKey is ZRFZUPIABJJRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-26-19-9-8-16(12-20(19)27-17-4-2-3-5-17)18-13-22(28-23-18)10-11-24(14-22)21(25)15-6-7-15/h8-9,12-13,15,17,23H,2-7,10-11,14H2,1H3.
What are the key properties of [3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-3-en-7-yl]-cyclopropylmethanone?
[3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-3-en-7-yl]-cyclopropylmethanone has a molecular weight of 384.48 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-3-en-7-yl]-cyclopropylmethanone is sourced from PubChem (CID 91270856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).