2,8-diazaspiro[5.5]undecan-2-yl-(3-iodophenyl)methanone

C16H21IN2O — CID 102849918

IUPAC2,8-diazaspiro[5.5]undecan-2-yl-(3-iodophenyl)methanone
SMILESO=C(c1cccc(I)c1)N1CCCC2(CCCNC2)C1
InChIInChI=1S/C16H21IN2O/c17-14-5-1-4-13(10-14)15(20)19-9-3-7-16(12-19)6-2-8-18-11-16/h1,4-5,10,18H,2-3,6-9,11-12H2
InChIKeyAPXYYILVXZLNID-UHFFFAOYSA-N
MW384.26 g/mol
LogP2.90
Rot. Bonds1

About 2,8-diazaspiro[5.5]undecan-2-yl-(3-iodophenyl)methanone

2,8-diazaspiro[5.5]undecan-2-yl-(3-iodophenyl)methanone (PubChem CID 102849918) has the molecular formula C16H21IN2O and a molecular weight of 384.26 g/mol. Its IUPAC name is 2,8-diazaspiro[5.5]undecan-2-yl-(3-iodophenyl)methanone.

Molecular Properties

Compound Name2,8-diazaspiro[5.5]undecan-2-yl-(3-iodophenyl)methanone
PubChem CID102849918
Molecular FormulaC16H21IN2O
Molecular Weight384.26 g/mol
Exact Mass384.07
IUPAC Name2,8-diazaspiro[5.5]undecan-2-yl-(3-iodophenyl)methanone
SMILESO=C(c1cccc(I)c1)N1CCCC2(CCCNC2)C1
InChIInChI=1S/C16H21IN2O/c17-14-5-1-4-13(10-14)15(20)19-9-3-7-16(12-19)6-2-8-18-11-16/h1,4-5,10,18H,2-3,6-9,11-12H2
InChIKeyAPXYYILVXZLNID-UHFFFAOYSA-N
XLogP2.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.26
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(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
2,8-diazaspiro[5.5]undecan-2-yl-(3,5-dimethylphenyl)methanone
CID 102849786
(4-bromo-3-fluorophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone
CID 102849604
2,8-diazaspiro[5.5]undecan-2-yl-(2,6-dichlorophenyl)methanone
CID 102849563
2,8-diazaspiro[5.5]undecan-2-yl(thiophen-3-yl)methanone
CID 102849694
2,8-diazaspiro[5.5]undecan-2-yl-(4-methylsulfanylphenyl)methanone
CID 102849889
azetidin-1-yl-(3-iodophenyl)methanone
CID 58181602
(3,3-dimethylpiperazin-1-yl)-(3-iodophenyl)methanone
CID 79505899
2,7-diazaspiro[4.4]nonan-2-yl-(3-methylphenyl)methanone
CID 82038241
(3,3-dimethylpyrrolidin-1-yl)-(3-iodophenyl)methanone
CID 79036864
3-(2,8-diazaspiro[5.5]undecane-2-carbonyl)-1H-pyridin-2-one
CID 102849780

Frequently Asked Questions

What is the IUPAC name of 2,8-diazaspiro[5.5]undecan-2-yl-(3-iodophenyl)methanone?
The IUPAC name of 2,8-diazaspiro[5.5]undecan-2-yl-(3-iodophenyl)methanone (CID 102849918) is 2,8-diazaspiro[5.5]undecan-2-yl-(3-iodophenyl)methanone.
What is the SMILES notation for 2,8-diazaspiro[5.5]undecan-2-yl-(3-iodophenyl)methanone?
The canonical SMILES for 2,8-diazaspiro[5.5]undecan-2-yl-(3-iodophenyl)methanone is O=C(c1cccc(I)c1)N1CCCC2(CCCNC2)C1.
What is the InChIKey of 2,8-diazaspiro[5.5]undecan-2-yl-(3-iodophenyl)methanone?
The InChIKey is APXYYILVXZLNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21IN2O/c17-14-5-1-4-13(10-14)15(20)19-9-3-7-16(12-19)6-2-8-18-11-16/h1,4-5,10,18H,2-3,6-9,11-12H2.
What are the key properties of 2,8-diazaspiro[5.5]undecan-2-yl-(3-iodophenyl)methanone?
2,8-diazaspiro[5.5]undecan-2-yl-(3-iodophenyl)methanone has a molecular weight of 384.26 g/mol, XLogP of 2.90, 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-(3-iodophenyl)methanone is sourced from PubChem (CID 102849918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).