1-(4-chlorobenzoyl)-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one

C21H27ClN2O3 — CID 162637440

IUPAC1-(4-chlorobenzoyl)-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESO=C(c1ccc(Cl)cc1)N1CCCC12CCCN(C1CCC(O)CC1)C2=O
InChIInChI=1S/C21H27ClN2O3/c22-16-5-3-15(4-6-16)19(26)24-14-2-12-21(24)11-1-13-23(20(21)27)17-7-9-18(25)10-8-17/h3-6,17-18,25H,1-2,7-14H2
InChIKeySNTJYQWCYZIQBI-UHFFFAOYSA-N
MW390.91 g/mol
LogP3.24
Rot. Bonds2

About 1-(4-chlorobenzoyl)-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one

1-(4-chlorobenzoyl)-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162637440) has the molecular formula C21H27ClN2O3 and a molecular weight of 390.91 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162637440
Molecular FormulaC21H27ClN2O3
Molecular Weight390.91 g/mol
Exact Mass390.17
IUPAC Name1-(4-chlorobenzoyl)-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESO=C(c1ccc(Cl)cc1)N1CCCC12CCCN(C1CCC(O)CC1)C2=O
InChIInChI=1S/C21H27ClN2O3/c22-16-5-3-15(4-6-16)19(26)24-14-2-12-21(24)11-1-13-23(20(21)27)17-7-9-18(25)10-8-17/h3-6,17-18,25H,1-2,7-14H2
InChIKeySNTJYQWCYZIQBI-UHFFFAOYSA-N
XLogP3.24
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.91
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-6-fluorobenzoyl)-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162625884
9-(4-hydroxycyclohexyl)-1-(3-methoxy-4-methylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162629049
9-cyclopropyl-1-(4-propan-2-yloxybenzoyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163307894
3-[9-(4-hydroxycyclohexyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carbonyl]benzonitrile
CID 162628283
9-(4-hydroxycyclohexyl)-1-(1-propan-2-ylpyrazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162635815
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-cyclopropyl-1-[3-(3-methoxyphenyl)benzoyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162637277
9-(4-hydroxycyclohexyl)-1-(5-methyl-2H-triazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162631887
1-(4-chloro-1H-indole-2-carbonyl)-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one
CID 162628262
9-cyclopropyl-1-(1-methylindole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162638778
9-(4-hydroxycyclohexyl)-1-[2-(2-oxopyrimidin-1-yl)acetyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162636600

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-(4-chlorobenzoyl)-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one (CID 162637440) is 1-(4-chlorobenzoyl)-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-(4-chlorobenzoyl)-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-(4-chlorobenzoyl)-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one is O=C(c1ccc(Cl)cc1)N1CCCC12CCCN(C1CCC(O)CC1)C2=O.
What is the InChIKey of 1-(4-chlorobenzoyl)-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is SNTJYQWCYZIQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O3/c22-16-5-3-15(4-6-16)19(26)24-14-2-12-21(24)11-1-13-23(20(21)27)17-7-9-18(25)10-8-17/h3-6,17-18,25H,1-2,7-14H2.
What are the key properties of 1-(4-chlorobenzoyl)-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one?
1-(4-chlorobenzoyl)-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 390.91 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162637440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).