1,9-diazaspiro[4.6]undecan-9-yl(phenyl)methanone

C16H22N2O — CID 138702406

IUPAC1,9-diazaspiro[4.6]undecan-9-yl(phenyl)methanone
SMILESO=C(c1ccccc1)N1CCCC2(CCCN2)CC1
InChIInChI=1S/C16H22N2O/c19-15(14-6-2-1-3-7-14)18-12-5-9-16(10-13-18)8-4-11-17-16/h1-3,6-7,17H,4-5,8-13H2
InChIKeySVUJAHKBOLDMME-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.43
Rot. Bonds1

About 1,9-diazaspiro[4.6]undecan-9-yl(phenyl)methanone

1,9-diazaspiro[4.6]undecan-9-yl(phenyl)methanone (PubChem CID 138702406) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 1,9-diazaspiro[4.6]undecan-9-yl(phenyl)methanone.

Molecular Properties

Compound Name1,9-diazaspiro[4.6]undecan-9-yl(phenyl)methanone
PubChem CID138702406
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name1,9-diazaspiro[4.6]undecan-9-yl(phenyl)methanone
SMILESO=C(c1ccccc1)N1CCCC2(CCCN2)CC1
InChIInChI=1S/C16H22N2O/c19-15(14-6-2-1-3-7-14)18-12-5-9-16(10-13-18)8-4-11-17-16/h1-3,6-7,17H,4-5,8-13H2
InChIKeySVUJAHKBOLDMME-UHFFFAOYSA-N
XLogP2.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,8-diazaspiro[4.5]decan-8-yl-(4-methylphenyl)methanone
CID 121451700
1-benzoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240952
1-(4-benzoyl-1,4-diazepan-1-yl)ethanone
CID 44603157
ethane;phenyl(piperazin-1-yl)methanone
CID 91566193
(5-hydroxyazocan-1-yl)-phenylmethanone
CID 165346872
phenyl(piperidin-1-yl)methanone;sulfuryl dichloride
CID 174601511
1-benzoyl-4-hydroxypiperidine-4-carbonitrile
CID 13284424
8-benzoyl-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 134072421
1-oxa-4,9-diazaspiro[5.5]undecan-9-yl(phenyl)methanone;hydrochloride
CID 155832204
phenyl-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone
CID 97493644
4-(pyrrolidine-1-carbonyl)benzoic acid
CID 10932939
methyl formate;phenyl(pyrrolidin-1-yl)methanone
CID 145150279

Frequently Asked Questions

What is the IUPAC name of 1,9-diazaspiro[4.6]undecan-9-yl(phenyl)methanone?
The IUPAC name of 1,9-diazaspiro[4.6]undecan-9-yl(phenyl)methanone (CID 138702406) is 1,9-diazaspiro[4.6]undecan-9-yl(phenyl)methanone.
What is the SMILES notation for 1,9-diazaspiro[4.6]undecan-9-yl(phenyl)methanone?
The canonical SMILES for 1,9-diazaspiro[4.6]undecan-9-yl(phenyl)methanone is O=C(c1ccccc1)N1CCCC2(CCCN2)CC1.
What is the InChIKey of 1,9-diazaspiro[4.6]undecan-9-yl(phenyl)methanone?
The InChIKey is SVUJAHKBOLDMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c19-15(14-6-2-1-3-7-14)18-12-5-9-16(10-13-18)8-4-11-17-16/h1-3,6-7,17H,4-5,8-13H2.
What are the key properties of 1,9-diazaspiro[4.6]undecan-9-yl(phenyl)methanone?
1,9-diazaspiro[4.6]undecan-9-yl(phenyl)methanone has a molecular weight of 258.36 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-diazaspiro[4.6]undecan-9-yl(phenyl)methanone is sourced from PubChem (CID 138702406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).