8-(3-chlorobenzoyl)-1-ethyl-1,8-diazaspiro[5.5]undecan-2-one

C18H23ClN2O2 — CID 134072985

IUPAC8-(3-chlorobenzoyl)-1-ethyl-1,8-diazaspiro[5.5]undecan-2-one
SMILESCCN1C(=O)CCCC12CCCN(C(=O)c1cccc(Cl)c1)C2
InChIInChI=1S/C18H23ClN2O2/c1-2-21-16(22)8-4-9-18(21)10-5-11-20(13-18)17(23)14-6-3-7-15(19)12-14/h3,6-7,12H,2,4-5,8-11,13H2,1H3
InChIKeyBQPHXHXZUDDFRO-UHFFFAOYSA-N
MW334.85 g/mol
LogP3.35
Rot. Bonds2

About 8-(3-chlorobenzoyl)-1-ethyl-1,8-diazaspiro[5.5]undecan-2-one

8-(3-chlorobenzoyl)-1-ethyl-1,8-diazaspiro[5.5]undecan-2-one (PubChem CID 134072985) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is 8-(3-chlorobenzoyl)-1-ethyl-1,8-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name8-(3-chlorobenzoyl)-1-ethyl-1,8-diazaspiro[5.5]undecan-2-one
PubChem CID134072985
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC Name8-(3-chlorobenzoyl)-1-ethyl-1,8-diazaspiro[5.5]undecan-2-one
SMILESCCN1C(=O)CCCC12CCCN(C(=O)c1cccc(Cl)c1)C2
InChIInChI=1S/C18H23ClN2O2/c1-2-21-16(22)8-4-9-18(21)10-5-11-20(13-18)17(23)14-6-3-7-15(19)12-14/h3,6-7,12H,2,4-5,8-11,13H2,1H3
InChIKeyBQPHXHXZUDDFRO-UHFFFAOYSA-N
XLogP3.35
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-(3-chlorobenzoyl)-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one
CID 131644825
(6S)-1-ethyl-8-(6-methylpyridine-3-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
CID 97495441
N-(4-chlorophenyl)-1-ethyl-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxamide
CID 134070508
1-(3-chlorobenzoyl)-3-ethylpiperidine-3-carboxylic acid
CID 63134559
(6R)-8-(3-methoxybenzoyl)-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one
CID 97495563
1-ethyl-8-(5-methyl-1,2-oxazole-4-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
CID 134073200
(6R)-1-ethyl-N-(4-methylphenyl)-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxamide
CID 97495478
(6R)-1-prop-2-enyl-8-(quinoline-6-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
CID 97495568
8-[4-(dimethylamino)benzoyl]-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one
CID 134070533
(6R)-1-methyl-8-(quinoline-6-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
CID 97495370
1-(3-chlorobenzoyl)-4-ethylpiperidine-4-carboxylic acid
CID 63124878
ethyl 4-(3-chlorobenzoyl)-1,4-diazepane-1-carboxylate
CID 110798803

Frequently Asked Questions

What is the IUPAC name of 8-(3-chlorobenzoyl)-1-ethyl-1,8-diazaspiro[5.5]undecan-2-one?
The IUPAC name of 8-(3-chlorobenzoyl)-1-ethyl-1,8-diazaspiro[5.5]undecan-2-one (CID 134072985) is 8-(3-chlorobenzoyl)-1-ethyl-1,8-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for 8-(3-chlorobenzoyl)-1-ethyl-1,8-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for 8-(3-chlorobenzoyl)-1-ethyl-1,8-diazaspiro[5.5]undecan-2-one is CCN1C(=O)CCCC12CCCN(C(=O)c1cccc(Cl)c1)C2.
What is the InChIKey of 8-(3-chlorobenzoyl)-1-ethyl-1,8-diazaspiro[5.5]undecan-2-one?
The InChIKey is BQPHXHXZUDDFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O2/c1-2-21-16(22)8-4-9-18(21)10-5-11-20(13-18)17(23)14-6-3-7-15(19)12-14/h3,6-7,12H,2,4-5,8-11,13H2,1H3.
What are the key properties of 8-(3-chlorobenzoyl)-1-ethyl-1,8-diazaspiro[5.5]undecan-2-one?
8-(3-chlorobenzoyl)-1-ethyl-1,8-diazaspiro[5.5]undecan-2-one has a molecular weight of 334.85 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-chlorobenzoyl)-1-ethyl-1,8-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 134072985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).