2,8-diazaspiro[5.5]undecan-2-yl-(2,6-dichlorophenyl)methanone

C16H20Cl2N2O — CID 102849563

IUPAC2,8-diazaspiro[5.5]undecan-2-yl-(2,6-dichlorophenyl)methanone
SMILESO=C(c1c(Cl)cccc1Cl)N1CCCC2(CCCNC2)C1
InChIInChI=1S/C16H20Cl2N2O/c17-12-4-1-5-13(18)14(12)15(21)20-9-3-7-16(11-20)6-2-8-19-10-16/h1,4-5,19H,2-3,6-11H2
InChIKeyJOCVLWAXAKQCGA-UHFFFAOYSA-N
MW327.25 g/mol
LogP3.60
Rot. Bonds1

About 2,8-diazaspiro[5.5]undecan-2-yl-(2,6-dichlorophenyl)methanone

2,8-diazaspiro[5.5]undecan-2-yl-(2,6-dichlorophenyl)methanone (PubChem CID 102849563) has the molecular formula C16H20Cl2N2O and a molecular weight of 327.25 g/mol. Its IUPAC name is 2,8-diazaspiro[5.5]undecan-2-yl-(2,6-dichlorophenyl)methanone.

Molecular Properties

Compound Name2,8-diazaspiro[5.5]undecan-2-yl-(2,6-dichlorophenyl)methanone
PubChem CID102849563
Molecular FormulaC16H20Cl2N2O
Molecular Weight327.25 g/mol
Exact Mass326.10
IUPAC Name2,8-diazaspiro[5.5]undecan-2-yl-(2,6-dichlorophenyl)methanone
SMILESO=C(c1c(Cl)cccc1Cl)N1CCCC2(CCCNC2)C1
InChIInChI=1S/C16H20Cl2N2O/c17-12-4-1-5-13(18)14(12)15(21)20-9-3-7-16(11-20)6-2-8-19-10-16/h1,4-5,19H,2-3,6-11H2
InChIKeyJOCVLWAXAKQCGA-UHFFFAOYSA-N
XLogP3.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,8-diazaspiro[5.5]undecan-2-yl-(2,6-dichlorophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,8-diazaspiro[5.5]undecan-2-yl-(3-iodophenyl)methanone
CID 102849918
(5-chloro-2-fluorophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone
CID 102849841
(3-bromophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone
CID 102849851
2,8-diazaspiro[5.5]undecan-2-yl-(3-fluorophenyl)methanone;hydrochloride
CID 155841850
1,4-diazepan-1-yl-(2,6-dichlorophenyl)methanone;hydrochloride
CID 119417664
(3-bromo-2-pyridinyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone
CID 107520321
3-(2,8-diazaspiro[5.5]undecane-2-carbonyl)-1H-pyridin-2-one
CID 102849780
(2-chlorophenyl)-(2,7-diazaspiro[4.4]nonan-2-yl)methanone
CID 82038205
2,8-diazaspiro[5.5]undecan-2-yl(thiophen-3-yl)methanone
CID 102849694
2,8-diazaspiro[5.5]undecan-2-yl-(3,5-dimethylphenyl)methanone
CID 102849786
2,8-diazaspiro[5.5]undecan-2-yl-(4-methylsulfanylphenyl)methanone
CID 102849889
(2-bromo-4-methylphenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone
CID 102849898

Frequently Asked Questions

What is the IUPAC name of 2,8-diazaspiro[5.5]undecan-2-yl-(2,6-dichlorophenyl)methanone?
The IUPAC name of 2,8-diazaspiro[5.5]undecan-2-yl-(2,6-dichlorophenyl)methanone (CID 102849563) is 2,8-diazaspiro[5.5]undecan-2-yl-(2,6-dichlorophenyl)methanone.
What is the SMILES notation for 2,8-diazaspiro[5.5]undecan-2-yl-(2,6-dichlorophenyl)methanone?
The canonical SMILES for 2,8-diazaspiro[5.5]undecan-2-yl-(2,6-dichlorophenyl)methanone is O=C(c1c(Cl)cccc1Cl)N1CCCC2(CCCNC2)C1.
What is the InChIKey of 2,8-diazaspiro[5.5]undecan-2-yl-(2,6-dichlorophenyl)methanone?
The InChIKey is JOCVLWAXAKQCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O/c17-12-4-1-5-13(18)14(12)15(21)20-9-3-7-16(11-20)6-2-8-19-10-16/h1,4-5,19H,2-3,6-11H2.
What are the key properties of 2,8-diazaspiro[5.5]undecan-2-yl-(2,6-dichlorophenyl)methanone?
2,8-diazaspiro[5.5]undecan-2-yl-(2,6-dichlorophenyl)methanone has a molecular weight of 327.25 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-diazaspiro[5.5]undecan-2-yl-(2,6-dichlorophenyl)methanone is sourced from PubChem (CID 102849563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).