[2-(5-chloro-2-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]-(4-ethoxyphenyl)methanone

C25H29ClN2O4 — CID 4296379

IUPAC[2-(5-chloro-2-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)N2CCC3(CC2)CCN(C(=O)c2cc(Cl)ccc2OC)C3)cc1
InChIInChI=1S/C25H29ClN2O4/c1-3-32-20-7-4-18(5-8-20)23(29)27-13-10-25(11-14-27)12-15-28(17-25)24(30)21-16-19(26)6-9-22(21)31-2/h4-9,16H,3,10-15,17H2,1-2H3
InChIKeyGGXFHRHGFZISOT-UHFFFAOYSA-N
MW456.97 g/mol
LogP4.52
Rot. Bonds5

About [2-(5-chloro-2-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]-(4-ethoxyphenyl)methanone

[2-(5-chloro-2-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]-(4-ethoxyphenyl)methanone (PubChem CID 4296379) has the molecular formula C25H29ClN2O4 and a molecular weight of 456.97 g/mol. Its IUPAC name is [2-(5-chloro-2-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]-(4-ethoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(5-chloro-2-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]-(4-ethoxyphenyl)methanone
PubChem CID4296379
Molecular FormulaC25H29ClN2O4
Molecular Weight456.97 g/mol
Exact Mass456.18
IUPAC Name[2-(5-chloro-2-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)N2CCC3(CC2)CCN(C(=O)c2cc(Cl)ccc2OC)C3)cc1
InChIInChI=1S/C25H29ClN2O4/c1-3-32-20-7-4-18(5-8-20)23(29)27-13-10-25(11-14-27)12-15-28(17-25)24(30)21-16-19(26)6-9-22(21)31-2/h4-9,16H,3,10-15,17H2,1-2H3
InChIKeyGGXFHRHGFZISOT-UHFFFAOYSA-N
XLogP4.52
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.97
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(5-chloro-2-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]-(4-ethoxyphenyl)methanone with MolForge

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Related Compounds

[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 33000048
[4-(2,5-dichlorobenzoyl)-1,4-diazepan-1-yl]-(4-ethoxyphenyl)methanone
CID 108545969
N-[2-(3,4-dimethoxyphenyl)ethyl]-8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decane-2-carbothioamide
CID 3855067
1-[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-2-(4-chlorophenoxy)ethanone
CID 108535354
(5-chloro-2-propoxyphenyl)-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone
CID 71862158
[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 108535373
[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-(4-ethoxyphenyl)methanone
CID 108543772
(4-chlorophenyl)-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]methanone
CID 110802853
ethyl 4-[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-4-oxobutanoate
CID 108568487
(3S)-3-[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-3-ethyl-N-methylpyrrolidine-1-carboxamide
CID 95112221
N-(4-bromo-2-chlorophenyl)-8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 3861917
aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]-(4-ethoxyphenyl)methanone?
The IUPAC name of [2-(5-chloro-2-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]-(4-ethoxyphenyl)methanone (CID 4296379) is [2-(5-chloro-2-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]-(4-ethoxyphenyl)methanone.
What is the SMILES notation for [2-(5-chloro-2-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]-(4-ethoxyphenyl)methanone?
The canonical SMILES for [2-(5-chloro-2-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]-(4-ethoxyphenyl)methanone is CCOc1ccc(C(=O)N2CCC3(CC2)CCN(C(=O)c2cc(Cl)ccc2OC)C3)cc1.
What is the InChIKey of [2-(5-chloro-2-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]-(4-ethoxyphenyl)methanone?
The InChIKey is GGXFHRHGFZISOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN2O4/c1-3-32-20-7-4-18(5-8-20)23(29)27-13-10-25(11-14-27)12-15-28(17-25)24(30)21-16-19(26)6-9-22(21)31-2/h4-9,16H,3,10-15,17H2,1-2H3.
What are the key properties of [2-(5-chloro-2-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]-(4-ethoxyphenyl)methanone?
[2-(5-chloro-2-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]-(4-ethoxyphenyl)methanone has a molecular weight of 456.97 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]-(4-ethoxyphenyl)methanone is sourced from PubChem (CID 4296379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).