3-(1-phenylcyclohexanecarbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one

C22H30N2O3 — CID 154819330

IUPAC3-(1-phenylcyclohexanecarbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
SMILESO=C1CCOC2(CCN(C(=O)C3(c4ccccc4)CCCCC3)CC2)CN1
InChIInChI=1S/C22H30N2O3/c25-19-9-16-27-21(17-23-19)12-14-24(15-13-21)20(26)22(10-5-2-6-11-22)18-7-3-1-4-8-18/h1,3-4,7-8H,2,5-6,9-17H2,(H,23,25)
InChIKeyYUZPMGXGWSGUJE-UHFFFAOYSA-N
MW370.49 g/mol
LogP2.79
Rot. Bonds2

About 3-(1-phenylcyclohexanecarbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one

3-(1-phenylcyclohexanecarbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one (PubChem CID 154819330) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is 3-(1-phenylcyclohexanecarbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one.

Molecular Properties

Compound Name3-(1-phenylcyclohexanecarbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
PubChem CID154819330
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name3-(1-phenylcyclohexanecarbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
SMILESO=C1CCOC2(CCN(C(=O)C3(c4ccccc4)CCCCC3)CC2)CN1
InChIInChI=1S/C22H30N2O3/c25-19-9-16-27-21(17-23-19)12-14-24(15-13-21)20(26)22(10-5-2-6-11-22)18-7-3-1-4-8-18/h1,3-4,7-8H,2,5-6,9-17H2,(H,23,25)
InChIKeyYUZPMGXGWSGUJE-UHFFFAOYSA-N
XLogP2.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-(4-phenyloxan-4-yl)methanone
CID 71785131
(5S)-7-(1-phenylcyclopentanecarbonyl)-1,7-diazaspiro[4.4]nonan-2-one
CID 164635054
(1-phenylcyclobutyl)-piperazin-1-ylmethanone
CID 110463899
1-[1-(4-fluorophenyl)cyclohexanecarbonyl]-1,4-diazepan-5-one
CID 56821181
(1-phenylcyclopentyl)-(4-phenylpiperazin-1-yl)methanone
CID 4048114
5-(4-fluorophenyl)-9-(1-phenylcyclopentanecarbonyl)-3,9-diazaspiro[5.5]undecan-2-one
CID 132772424
2,7-diazaspiro[4.4]nonan-2-yl-(1-phenylcyclobutyl)methanone
CID 82038165
1'-(1-phenylcyclopentanecarbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 46950624
(1-phenylcyclopentyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 135165735
(2,2-dimethylmorpholin-4-yl)-(1-phenylcyclobutyl)methanone
CID 86983017
(5R)-9-[4-(4-fluorophenyl)oxane-4-carbonyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95728573
[1-(4-methylsulfonylphenyl)cyclobutyl]-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone
CID 118796209

Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylcyclohexanecarbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one?
The IUPAC name of 3-(1-phenylcyclohexanecarbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one (CID 154819330) is 3-(1-phenylcyclohexanecarbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one.
What is the SMILES notation for 3-(1-phenylcyclohexanecarbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one?
The canonical SMILES for 3-(1-phenylcyclohexanecarbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one is O=C1CCOC2(CCN(C(=O)C3(c4ccccc4)CCCCC3)CC2)CN1.
What is the InChIKey of 3-(1-phenylcyclohexanecarbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one?
The InChIKey is YUZPMGXGWSGUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c25-19-9-16-27-21(17-23-19)12-14-24(15-13-21)20(26)22(10-5-2-6-11-22)18-7-3-1-4-8-18/h1,3-4,7-8H,2,5-6,9-17H2,(H,23,25).
What are the key properties of 3-(1-phenylcyclohexanecarbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one?
3-(1-phenylcyclohexanecarbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one has a molecular weight of 370.49 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylcyclohexanecarbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one is sourced from PubChem (CID 154819330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).