1-(2,3-dichlorobenzoyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one

C18H22Cl2N2O3 — CID 162632388

IUPAC1-(2,3-dichlorobenzoyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESCOCCN1CCCC2(CCCN2C(=O)c2cccc(Cl)c2Cl)C1=O
InChIInChI=1S/C18H22Cl2N2O3/c1-25-12-11-21-9-3-7-18(17(21)24)8-4-10-22(18)16(23)13-5-2-6-14(19)15(13)20/h2,5-6H,3-4,7-12H2,1H3
InChIKeyPSIADGMXIWEHOU-UHFFFAOYSA-N
MW385.29 g/mol
LogP3.24
Rot. Bonds4

About 1-(2,3-dichlorobenzoyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one

1-(2,3-dichlorobenzoyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162632388) has the molecular formula C18H22Cl2N2O3 and a molecular weight of 385.29 g/mol. Its IUPAC name is 1-(2,3-dichlorobenzoyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-(2,3-dichlorobenzoyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162632388
Molecular FormulaC18H22Cl2N2O3
Molecular Weight385.29 g/mol
Exact Mass384.10
IUPAC Name1-(2,3-dichlorobenzoyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESCOCCN1CCCC2(CCCN2C(=O)c2cccc(Cl)c2Cl)C1=O
InChIInChI=1S/C18H22Cl2N2O3/c1-25-12-11-21-9-3-7-18(17(21)24)8-4-10-22(18)16(23)13-5-2-6-14(19)15(13)20/h2,5-6H,3-4,7-12H2,1H3
InChIKeyPSIADGMXIWEHOU-UHFFFAOYSA-N
XLogP3.24
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.29
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-6-fluoro-3-methylbenzoyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 164696260
1-(4-fluoro-2-methoxybenzoyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163312104
1-(4,6-dimethylpyrimidine-5-carbonyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162636176
1-(4-fluoro-3-methylbenzoyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163306693
9-(2-methoxyethyl)-1-[(E)-3-phenylprop-2-enoyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162626207
9-(2-methoxyethyl)-1-[1-(4-methylphenyl)cyclopropanecarbonyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162632849
1-[2-(1,3-benzodioxol-5-yl)acetyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162631408
9-(2-hydroxyethyl)-1-(quinoxaline-5-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162633260
3-(10-oxo-9-propyl-1,9-diazaspiro[4.5]decane-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 162638931
1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-4-methoxybutan-1-one
CID 87004663
9-(2-methoxyethyl)-1-(3-phenylpropyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162627579
2-[(2-chlorophenyl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45200677

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorobenzoyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-(2,3-dichlorobenzoyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one (CID 162632388) is 1-(2,3-dichlorobenzoyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-(2,3-dichlorobenzoyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-(2,3-dichlorobenzoyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one is COCCN1CCCC2(CCCN2C(=O)c2cccc(Cl)c2Cl)C1=O.
What is the InChIKey of 1-(2,3-dichlorobenzoyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is PSIADGMXIWEHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N2O3/c1-25-12-11-21-9-3-7-18(17(21)24)8-4-10-22(18)16(23)13-5-2-6-14(19)15(13)20/h2,5-6H,3-4,7-12H2,1H3.
What are the key properties of 1-(2,3-dichlorobenzoyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one?
1-(2,3-dichlorobenzoyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 385.29 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorobenzoyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162632388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).