2,8-diazaspiro[5.5]undecan-2-yl-[1-(2-methoxyphenyl)cyclopentyl]methanone

C22H32N2O2 — CID 82037990

IUPAC2,8-diazaspiro[5.5]undecan-2-yl-[1-(2-methoxyphenyl)cyclopentyl]methanone
SMILESCOc1ccccc1C1(C(=O)N2CCCC3(CCCNC3)C2)CCCC1
InChIInChI=1S/C22H32N2O2/c1-26-19-9-3-2-8-18(19)22(12-4-5-13-22)20(25)24-15-7-11-21(17-24)10-6-14-23-16-21/h2-3,8-9,23H,4-7,10-17H2,1H3
InChIKeyYZCNQOLOLCSYTD-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.50
Rot. Bonds3

About 2,8-diazaspiro[5.5]undecan-2-yl-[1-(2-methoxyphenyl)cyclopentyl]methanone

2,8-diazaspiro[5.5]undecan-2-yl-[1-(2-methoxyphenyl)cyclopentyl]methanone (PubChem CID 82037990) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 2,8-diazaspiro[5.5]undecan-2-yl-[1-(2-methoxyphenyl)cyclopentyl]methanone.

Molecular Properties

Compound Name2,8-diazaspiro[5.5]undecan-2-yl-[1-(2-methoxyphenyl)cyclopentyl]methanone
PubChem CID82037990
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name2,8-diazaspiro[5.5]undecan-2-yl-[1-(2-methoxyphenyl)cyclopentyl]methanone
SMILESCOc1ccccc1C1(C(=O)N2CCCC3(CCCNC3)C2)CCCC1
InChIInChI=1S/C22H32N2O2/c1-26-19-9-3-2-8-18(19)22(12-4-5-13-22)20(25)24-15-7-11-21(17-24)10-6-14-23-16-21/h2-3,8-9,23H,4-7,10-17H2,1H3
InChIKeyYZCNQOLOLCSYTD-UHFFFAOYSA-N
XLogP3.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-methoxyphenyl)cyclopropyl]-piperidin-1-ylmethanone
CID 30945052
2,7-diazaspiro[4.5]decan-7-yl-[1-(3-methoxyphenyl)cyclopentyl]methanone
CID 126813294
2,8-diazaspiro[5.5]undecan-2-yl-(3-methoxythiophen-2-yl)methanone
CID 82038139
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(2-methoxyphenyl)cyclopropyl]methanone;hydrochloride
CID 120816573
[1-(2-methoxyphenyl)cyclobutyl]-(3-methylpiperidin-1-yl)methanone
CID 110436782
2,7-diazaspiro[4.4]nonan-2-yl-(1-phenylcyclobutyl)methanone
CID 82038165
1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(4-methoxyphenyl)-2-methylpropan-1-one
CID 82038036
1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-hydroxy-2-phenylethanone
CID 102849931
(3R)-1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
CID 97064118
1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
CID 71915693
1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168175
1-(2-methoxyphenyl)cyclohexane-1-carbohydrazide
CID 116844537

Frequently Asked Questions

What is the IUPAC name of 2,8-diazaspiro[5.5]undecan-2-yl-[1-(2-methoxyphenyl)cyclopentyl]methanone?
The IUPAC name of 2,8-diazaspiro[5.5]undecan-2-yl-[1-(2-methoxyphenyl)cyclopentyl]methanone (CID 82037990) is 2,8-diazaspiro[5.5]undecan-2-yl-[1-(2-methoxyphenyl)cyclopentyl]methanone.
What is the SMILES notation for 2,8-diazaspiro[5.5]undecan-2-yl-[1-(2-methoxyphenyl)cyclopentyl]methanone?
The canonical SMILES for 2,8-diazaspiro[5.5]undecan-2-yl-[1-(2-methoxyphenyl)cyclopentyl]methanone is COc1ccccc1C1(C(=O)N2CCCC3(CCCNC3)C2)CCCC1.
What is the InChIKey of 2,8-diazaspiro[5.5]undecan-2-yl-[1-(2-methoxyphenyl)cyclopentyl]methanone?
The InChIKey is YZCNQOLOLCSYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-26-19-9-3-2-8-18(19)22(12-4-5-13-22)20(25)24-15-7-11-21(17-24)10-6-14-23-16-21/h2-3,8-9,23H,4-7,10-17H2,1H3.
What are the key properties of 2,8-diazaspiro[5.5]undecan-2-yl-[1-(2-methoxyphenyl)cyclopentyl]methanone?
2,8-diazaspiro[5.5]undecan-2-yl-[1-(2-methoxyphenyl)cyclopentyl]methanone has a molecular weight of 356.51 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-diazaspiro[5.5]undecan-2-yl-[1-(2-methoxyphenyl)cyclopentyl]methanone is sourced from PubChem (CID 82037990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).