1-(2-chloro-6-fluorobenzoyl)-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one

C21H26ClFN2O3 — CID 162625884

IUPAC1-(2-chloro-6-fluorobenzoyl)-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESO=C(c1c(F)cccc1Cl)N1CCCC12CCCN(C1CCC(O)CC1)C2=O
InChIInChI=1S/C21H26ClFN2O3/c22-16-4-1-5-17(23)18(16)19(27)25-13-3-11-21(25)10-2-12-24(20(21)28)14-6-8-15(26)9-7-14/h1,4-5,14-15,26H,2-3,6-13H2
InChIKeyKLSOMXURZUIUJK-UHFFFAOYSA-N
MW408.90 g/mol
LogP3.38
Rot. Bonds2

About 1-(2-chloro-6-fluorobenzoyl)-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one

1-(2-chloro-6-fluorobenzoyl)-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162625884) has the molecular formula C21H26ClFN2O3 and a molecular weight of 408.90 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorobenzoyl)-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-(2-chloro-6-fluorobenzoyl)-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162625884
Molecular FormulaC21H26ClFN2O3
Molecular Weight408.90 g/mol
Exact Mass408.16
IUPAC Name1-(2-chloro-6-fluorobenzoyl)-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESO=C(c1c(F)cccc1Cl)N1CCCC12CCCN(C1CCC(O)CC1)C2=O
InChIInChI=1S/C21H26ClFN2O3/c22-16-4-1-5-17(23)18(16)19(27)25-13-3-11-21(25)10-2-12-24(20(21)28)14-6-8-15(26)9-7-14/h1,4-5,14-15,26H,2-3,6-13H2
InChIKeyKLSOMXURZUIUJK-UHFFFAOYSA-N
XLogP3.38
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.90
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-chloro-6-fluorobenzoyl)-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one with MolForge

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Related Compounds

1-(4-chloro-1H-indole-2-carbonyl)-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one
CID 162628262
3-[9-(4-hydroxycyclohexyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carbonyl]benzonitrile
CID 162628283
1-(2-chloro-5-methylbenzoyl)-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one
CID 163317759
1-acetyl-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one
CID 163307131
9-(4-hydroxycyclohexyl)-1-(3-methoxy-4-methylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162629049
1-[(2-chloro-5-fluorophenyl)methyl]-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162628391
9-(4-hydroxycyclohexyl)-1-(1-propan-2-ylpyrazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162635815
4-[4-(2-chloro-6-fluorobenzoyl)piperazine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one
CID 110346141
9-cyclopropyl-1-(1-methylindole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162638778
9-(4-hydroxycyclohexyl)-1-[3-(3-methoxyphenyl)propanoyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162635318
9-cyclopropyl-1-(4-propan-2-yloxybenzoyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163307894
(2-chloro-6-fluorophenyl)-(4,4-difluoropiperidin-1-yl)methanone
CID 139023381

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorobenzoyl)-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-(2-chloro-6-fluorobenzoyl)-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one (CID 162625884) is 1-(2-chloro-6-fluorobenzoyl)-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-(2-chloro-6-fluorobenzoyl)-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-(2-chloro-6-fluorobenzoyl)-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one is O=C(c1c(F)cccc1Cl)N1CCCC12CCCN(C1CCC(O)CC1)C2=O.
What is the InChIKey of 1-(2-chloro-6-fluorobenzoyl)-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is KLSOMXURZUIUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClFN2O3/c22-16-4-1-5-17(23)18(16)19(27)25-13-3-11-21(25)10-2-12-24(20(21)28)14-6-8-15(26)9-7-14/h1,4-5,14-15,26H,2-3,6-13H2.
What are the key properties of 1-(2-chloro-6-fluorobenzoyl)-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one?
1-(2-chloro-6-fluorobenzoyl)-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 408.90 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorobenzoyl)-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162625884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).