2,7-diazaspiro[4.5]decan-7-yl-[1-(3-methoxyphenyl)cyclopentyl]methanone

C21H30N2O2 — CID 126813294

IUPAC2,7-diazaspiro[4.5]decan-7-yl-[1-(3-methoxyphenyl)cyclopentyl]methanone
SMILESCOc1cccc(C2(C(=O)N3CCCC4(CCNC4)C3)CCCC2)c1
InChIInChI=1S/C21H30N2O2/c1-25-18-7-4-6-17(14-18)21(9-2-3-10-21)19(24)23-13-5-8-20(16-23)11-12-22-15-20/h4,6-7,14,22H,2-3,5,8-13,15-16H2,1H3
InChIKeyHEIQVFQTYJFTKX-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.11
Rot. Bonds3

About 2,7-diazaspiro[4.5]decan-7-yl-[1-(3-methoxyphenyl)cyclopentyl]methanone

2,7-diazaspiro[4.5]decan-7-yl-[1-(3-methoxyphenyl)cyclopentyl]methanone (PubChem CID 126813294) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 2,7-diazaspiro[4.5]decan-7-yl-[1-(3-methoxyphenyl)cyclopentyl]methanone.

Molecular Properties

Compound Name2,7-diazaspiro[4.5]decan-7-yl-[1-(3-methoxyphenyl)cyclopentyl]methanone
PubChem CID126813294
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name2,7-diazaspiro[4.5]decan-7-yl-[1-(3-methoxyphenyl)cyclopentyl]methanone
SMILESCOc1cccc(C2(C(=O)N3CCCC4(CCNC4)C3)CCCC2)c1
InChIInChI=1S/C21H30N2O2/c1-25-18-7-4-6-17(14-18)21(9-2-3-10-21)19(24)23-13-5-8-20(16-23)11-12-22-15-20/h4,6-7,14,22H,2-3,5,8-13,15-16H2,1H3
InChIKeyHEIQVFQTYJFTKX-UHFFFAOYSA-N
XLogP3.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,7-diazaspiro[4.5]decan-7-yl-[4-(3-fluorophenyl)oxan-4-yl]methanone
CID 126815571
2,7-diazaspiro[4.4]nonan-2-yl-(1-phenylcyclobutyl)methanone
CID 82038165
2,8-diazaspiro[5.5]undecan-2-yl-[1-(2-methoxyphenyl)cyclopentyl]methanone
CID 82037990
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-methoxyphenyl)cyclopentyl]methanone
CID 120807295
(3S)-1-[1-(3-methoxyphenyl)cyclopentanecarbonyl]piperidine-3-carboxylic acid
CID 119174323
[1-(3-methoxyphenyl)cyclopentyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119489769
(5R)-N-[(2,5-dimethoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide
CID 126422687
[(2S)-2-(aminomethyl)-1,4-oxazepan-4-yl]-[1-(3-methoxyphenyl)cyclopentyl]methanone
CID 164637343
[1-(3-methoxyphenyl)cyclopropyl]-(4-methylpiperazin-1-yl)methanone
CID 53016820
1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(4-methoxyphenyl)-2-methylpropan-1-one
CID 82038036
(3R,4R)-4-cyclopropyl-1-[1-(3-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid
CID 120978354
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 120891099

Frequently Asked Questions

What is the IUPAC name of 2,7-diazaspiro[4.5]decan-7-yl-[1-(3-methoxyphenyl)cyclopentyl]methanone?
The IUPAC name of 2,7-diazaspiro[4.5]decan-7-yl-[1-(3-methoxyphenyl)cyclopentyl]methanone (CID 126813294) is 2,7-diazaspiro[4.5]decan-7-yl-[1-(3-methoxyphenyl)cyclopentyl]methanone.
What is the SMILES notation for 2,7-diazaspiro[4.5]decan-7-yl-[1-(3-methoxyphenyl)cyclopentyl]methanone?
The canonical SMILES for 2,7-diazaspiro[4.5]decan-7-yl-[1-(3-methoxyphenyl)cyclopentyl]methanone is COc1cccc(C2(C(=O)N3CCCC4(CCNC4)C3)CCCC2)c1.
What is the InChIKey of 2,7-diazaspiro[4.5]decan-7-yl-[1-(3-methoxyphenyl)cyclopentyl]methanone?
The InChIKey is HEIQVFQTYJFTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-25-18-7-4-6-17(14-18)21(9-2-3-10-21)19(24)23-13-5-8-20(16-23)11-12-22-15-20/h4,6-7,14,22H,2-3,5,8-13,15-16H2,1H3.
What are the key properties of 2,7-diazaspiro[4.5]decan-7-yl-[1-(3-methoxyphenyl)cyclopentyl]methanone?
2,7-diazaspiro[4.5]decan-7-yl-[1-(3-methoxyphenyl)cyclopentyl]methanone has a molecular weight of 342.48 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diazaspiro[4.5]decan-7-yl-[1-(3-methoxyphenyl)cyclopentyl]methanone is sourced from PubChem (CID 126813294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).