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

C16H21BrN2O — CID 102849851

IUPAC(3-bromophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone
SMILESO=C(c1cccc(Br)c1)N1CCCC2(CCCNC2)C1
InChIInChI=1S/C16H21BrN2O/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
InChIKeyAYXQPJGTUZKVJC-UHFFFAOYSA-N
MW337.26 g/mol
LogP3.05
Rot. Bonds1

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

(3-bromophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone (PubChem CID 102849851) has the molecular formula C16H21BrN2O and a molecular weight of 337.26 g/mol. Its IUPAC name is (3-bromophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone.

Molecular Properties

Compound Name(3-bromophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone
PubChem CID102849851
Molecular FormulaC16H21BrN2O
Molecular Weight337.26 g/mol
Exact Mass336.08
IUPAC Name(3-bromophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone
SMILESO=C(c1cccc(Br)c1)N1CCCC2(CCCNC2)C1
InChIInChI=1S/C16H21BrN2O/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
InChIKeyAYXQPJGTUZKVJC-UHFFFAOYSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,8-diazaspiro[5.5]undecan-2-yl-(3-iodophenyl)methanone
CID 102849918
2,8-diazaspiro[5.5]undecan-2-yl-(3-fluorophenyl)methanone;hydrochloride
CID 155841850
(4-bromo-3-fluorophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone
CID 102849604
2,8-diazaspiro[5.5]undecan-2-yl-(3,5-dimethylphenyl)methanone
CID 102849786
2,8-diazaspiro[5.5]undecan-2-yl-(2,6-dichlorophenyl)methanone
CID 102849563
(3-bromophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115875011
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
(2-bromo-4-methylphenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone
CID 102849898
(3-bromo-2-pyridinyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone
CID 107520321
1-(3-bromobenzoyl)-3-methylpiperidine-3-carboxylic acid
CID 63133748
2,7-diazaspiro[4.4]nonan-2-yl-(3-methylphenyl)methanone
CID 82038241

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone?
The IUPAC name of (3-bromophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone (CID 102849851) is (3-bromophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone.
What is the SMILES notation for (3-bromophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone?
The canonical SMILES for (3-bromophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone is O=C(c1cccc(Br)c1)N1CCCC2(CCCNC2)C1.
What is the InChIKey of (3-bromophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone?
The InChIKey is AYXQPJGTUZKVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O/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 (3-bromophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone?
(3-bromophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone has a molecular weight of 337.26 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone is sourced from PubChem (CID 102849851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).