2-[(2-iodophenyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one

C16H21IN2O — CID 45074407

IUPAC2-[(2-iodophenyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one
SMILESO=C1N(Cc2ccccc2I)CCCC12CCCNC2
InChIInChI=1S/C16H21IN2O/c17-14-6-2-1-5-13(14)11-19-10-4-8-16(15(19)20)7-3-9-18-12-16/h1-2,5-6,18H,3-4,7-12H2
InChIKeyXWDZYODTTJRCAZ-UHFFFAOYSA-N
MW384.26 g/mol
LogP2.78
Rot. Bonds2

About 2-[(2-iodophenyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one

2-[(2-iodophenyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one (PubChem CID 45074407) has the molecular formula C16H21IN2O and a molecular weight of 384.26 g/mol. Its IUPAC name is 2-[(2-iodophenyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name2-[(2-iodophenyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one
PubChem CID45074407
Molecular FormulaC16H21IN2O
Molecular Weight384.26 g/mol
Exact Mass384.07
IUPAC Name2-[(2-iodophenyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one
SMILESO=C1N(Cc2ccccc2I)CCCC12CCCNC2
InChIInChI=1S/C16H21IN2O/c17-14-6-2-1-5-13(14)11-19-10-4-8-16(15(19)20)7-3-9-18-12-16/h1-2,5-6,18H,3-4,7-12H2
InChIKeyXWDZYODTTJRCAZ-UHFFFAOYSA-N
XLogP2.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.26
LogP ≤ 52.78
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

2-[(2-fluorophenyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one;hydrochloride
CID 45074394
2-[(1-oxo-2,8-diazaspiro[5.5]undecan-2-yl)methyl]benzonitrile
CID 45074383
2-[(2-iodophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 45074112
2-[(2-chlorophenyl)methyl]-2,9-diazaspiro[4.5]decan-1-one;hydrochloride
CID 45074173
2-[(2-aminophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one
CID 45074352
7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 56900937
(5S)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 95711606
2-[(1-oxo-2,9-diazaspiro[5.5]undecan-2-yl)methyl]benzonitrile
CID 45074320
2-[(3-nitrophenyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one;hydrochloride
CID 45074374
(5R)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one
CID 97490526
7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 56887747
(5R)-2-ethyl-2,9-diazaspiro[4.5]decan-1-one
CID 92775014

Frequently Asked Questions

What is the IUPAC name of 2-[(2-iodophenyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one?
The IUPAC name of 2-[(2-iodophenyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one (CID 45074407) is 2-[(2-iodophenyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for 2-[(2-iodophenyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for 2-[(2-iodophenyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one is O=C1N(Cc2ccccc2I)CCCC12CCCNC2.
What is the InChIKey of 2-[(2-iodophenyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one?
The InChIKey is XWDZYODTTJRCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21IN2O/c17-14-6-2-1-5-13(14)11-19-10-4-8-16(15(19)20)7-3-9-18-12-16/h1-2,5-6,18H,3-4,7-12H2.
What are the key properties of 2-[(2-iodophenyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one?
2-[(2-iodophenyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one has a molecular weight of 384.26 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-iodophenyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 45074407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).