2-anilino-1-(3-azaspiro[5.5]undecan-3-yl)ethanone;hydrochloride

C18H27ClN2O — CID 119768979

IUPAC2-anilino-1-(3-azaspiro[5.5]undecan-3-yl)ethanone;hydrochloride
SMILESCl.O=C(CNc1ccccc1)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C18H26N2O.ClH/c21-17(15-19-16-7-3-1-4-8-16)20-13-11-18(12-14-20)9-5-2-6-10-18;/h1,3-4,7-8,19H,2,5-6,9-15H2;1H
InChIKeyUKXIKGLMRUEZTH-UHFFFAOYSA-N
MW322.88 g/mol
LogP4.09
Rot. Bonds3

About 2-anilino-1-(3-azaspiro[5.5]undecan-3-yl)ethanone;hydrochloride

2-anilino-1-(3-azaspiro[5.5]undecan-3-yl)ethanone;hydrochloride (PubChem CID 119768979) has the molecular formula C18H27ClN2O and a molecular weight of 322.88 g/mol. Its IUPAC name is 2-anilino-1-(3-azaspiro[5.5]undecan-3-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-anilino-1-(3-azaspiro[5.5]undecan-3-yl)ethanone;hydrochloride
PubChem CID119768979
Molecular FormulaC18H27ClN2O
Molecular Weight322.88 g/mol
Exact Mass322.18
IUPAC Name2-anilino-1-(3-azaspiro[5.5]undecan-3-yl)ethanone;hydrochloride
SMILESCl.O=C(CNc1ccccc1)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C18H26N2O.ClH/c21-17(15-19-16-7-3-1-4-8-16)20-13-11-18(12-14-20)9-5-2-6-10-18;/h1,3-4,7-8,19H,2,5-6,9-15H2;1H
InChIKeyUKXIKGLMRUEZTH-UHFFFAOYSA-N
XLogP4.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 119842954
2-anilino-1-(4-phenylpiperidin-1-yl)ethanone;hydrochloride
CID 119703042
2-anilino-1-(2,2-dimethylthiomorpholin-4-yl)ethanone
CID 113267007
methyl 4-(2-anilinoacetyl)piperazine-1-carboxylate
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2-anilino-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103812443
2-anilino-1-(4-ethylazepan-1-yl)ethanone;hydrochloride
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4-(2-anilinoacetyl)piperazine-2,6-dione
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2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-2-phenylethanone;hydrochloride
CID 119315120
1-(8-azaspiro[4.5]decan-8-yl)-3-phenyl-2-sulfanylpropan-1-one
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1-(2-anilinoacetyl)-2-methylpiperidine-2-carboxylic acid
CID 104597298
1-(2-azaspiro[4.4]nonan-2-yl)-2-(pyridin-2-ylamino)ethanone
CID 166253169

Frequently Asked Questions

What is the IUPAC name of 2-anilino-1-(3-azaspiro[5.5]undecan-3-yl)ethanone;hydrochloride?
The IUPAC name of 2-anilino-1-(3-azaspiro[5.5]undecan-3-yl)ethanone;hydrochloride (CID 119768979) is 2-anilino-1-(3-azaspiro[5.5]undecan-3-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-anilino-1-(3-azaspiro[5.5]undecan-3-yl)ethanone;hydrochloride?
The canonical SMILES for 2-anilino-1-(3-azaspiro[5.5]undecan-3-yl)ethanone;hydrochloride is Cl.O=C(CNc1ccccc1)N1CCC2(CCCCC2)CC1.
What is the InChIKey of 2-anilino-1-(3-azaspiro[5.5]undecan-3-yl)ethanone;hydrochloride?
The InChIKey is UKXIKGLMRUEZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O.ClH/c21-17(15-19-16-7-3-1-4-8-16)20-13-11-18(12-14-20)9-5-2-6-10-18;/h1,3-4,7-8,19H,2,5-6,9-15H2;1H.
What are the key properties of 2-anilino-1-(3-azaspiro[5.5]undecan-3-yl)ethanone;hydrochloride?
2-anilino-1-(3-azaspiro[5.5]undecan-3-yl)ethanone;hydrochloride has a molecular weight of 322.88 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-1-(3-azaspiro[5.5]undecan-3-yl)ethanone;hydrochloride is sourced from PubChem (CID 119768979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).