3-[9-(4-hydroxycyclohexyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carbonyl]benzonitrile

C22H27N3O3 — CID 162628283

IUPAC3-[9-(4-hydroxycyclohexyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carbonyl]benzonitrile
SMILESN#Cc1cccc(C(=O)N2CCCC23CCCN(C2CCC(O)CC2)C3=O)c1
InChIInChI=1S/C22H27N3O3/c23-15-16-4-1-5-17(14-16)20(27)25-13-3-11-22(25)10-2-12-24(21(22)28)18-6-8-19(26)9-7-18/h1,4-5,14,18-19,26H,2-3,6-13H2
InChIKeyOUIOZEACVYSRBY-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.46
Rot. Bonds2

About 3-[9-(4-hydroxycyclohexyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carbonyl]benzonitrile

3-[9-(4-hydroxycyclohexyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carbonyl]benzonitrile (PubChem CID 162628283) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 3-[9-(4-hydroxycyclohexyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carbonyl]benzonitrile.

Molecular Properties

Compound Name3-[9-(4-hydroxycyclohexyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carbonyl]benzonitrile
PubChem CID162628283
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name3-[9-(4-hydroxycyclohexyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carbonyl]benzonitrile
SMILESN#Cc1cccc(C(=O)N2CCCC23CCCN(C2CCC(O)CC2)C3=O)c1
InChIInChI=1S/C22H27N3O3/c23-15-16-4-1-5-17(14-16)20(27)25-13-3-11-22(25)10-2-12-24(21(22)28)18-6-8-19(26)9-7-18/h1,4-5,14,18-19,26H,2-3,6-13H2
InChIKeyOUIOZEACVYSRBY-UHFFFAOYSA-N
XLogP2.46
TPSA84.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorobenzoyl)-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162637440
9-(4-hydroxycyclohexyl)-1-(3-methoxy-4-methylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162629049
3-(4-hydroxypiperidine-1-carbonyl)benzonitrile
CID 24690177
1-(2-chloro-6-fluorobenzoyl)-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162625884
9-(4-hydroxycyclohexyl)-1-(1-propan-2-ylpyrazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162635815
3-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)benzonitrile
CID 63762536
9-(4-hydroxycyclohexyl)-1-(6-oxo-1H-pyrimidine-5-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162638280
9-(4-hydroxycyclohexyl)-1-(6-oxo-1H-pyrazine-2-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162637036
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
1-(4-chloro-1H-indole-2-carbonyl)-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one
CID 162628262
3-[(2S)-2-methylpiperidine-1-carbonyl]benzonitrile
CID 2553523

Frequently Asked Questions

What is the IUPAC name of 3-[9-(4-hydroxycyclohexyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carbonyl]benzonitrile?
The IUPAC name of 3-[9-(4-hydroxycyclohexyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carbonyl]benzonitrile (CID 162628283) is 3-[9-(4-hydroxycyclohexyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carbonyl]benzonitrile.
What is the SMILES notation for 3-[9-(4-hydroxycyclohexyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carbonyl]benzonitrile?
The canonical SMILES for 3-[9-(4-hydroxycyclohexyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carbonyl]benzonitrile is N#Cc1cccc(C(=O)N2CCCC23CCCN(C2CCC(O)CC2)C3=O)c1.
What is the InChIKey of 3-[9-(4-hydroxycyclohexyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carbonyl]benzonitrile?
The InChIKey is OUIOZEACVYSRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c23-15-16-4-1-5-17(14-16)20(27)25-13-3-11-22(25)10-2-12-24(21(22)28)18-6-8-19(26)9-7-18/h1,4-5,14,18-19,26H,2-3,6-13H2.
What are the key properties of 3-[9-(4-hydroxycyclohexyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carbonyl]benzonitrile?
3-[9-(4-hydroxycyclohexyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carbonyl]benzonitrile has a molecular weight of 381.48 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(4-hydroxycyclohexyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carbonyl]benzonitrile is sourced from PubChem (CID 162628283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).