2-(3-chlorophenyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride

C14H18Cl2N2O — CID 45074479

IUPAC2-(3-chlorophenyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
SMILESCl.O=C1N(c2cccc(Cl)c2)CCC12CCNCC2
InChIInChI=1S/C14H17ClN2O.ClH/c15-11-2-1-3-12(10-11)17-9-6-14(13(17)18)4-7-16-8-5-14;/h1-3,10,16H,4-9H2;1H
InChIKeyFVVPABRHBZPGOO-UHFFFAOYSA-N
MW301.22 g/mol
LogP2.87
Rot. Bonds1

About 2-(3-chlorophenyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride

2-(3-chlorophenyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride (PubChem CID 45074479) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
PubChem CID45074479
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC Name2-(3-chlorophenyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
SMILESCl.O=C1N(c2cccc(Cl)c2)CCC12CCNCC2
InChIInChI=1S/C14H17ClN2O.ClH/c15-11-2-1-3-12(10-11)17-9-6-14(13(17)18)4-7-16-8-5-14;/h1-3,10,16H,4-9H2;1H
InChIKeyFVVPABRHBZPGOO-UHFFFAOYSA-N
XLogP2.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
CID 45074477
8-azido-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one
CID 122672568
1-[2-(3-chlorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]pentane-1,4-dione
CID 176914336
(5R,7R)-7-amino-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one;(5S,7S)-7-amino-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one
CID 159763896
2-(3-chlorophenyl)-8-(2-pyrrolidin-1-ylacetyl)-2,8-diazaspiro[4.5]decan-1-one
CID 176914378
2-(3-chlorophenyl)-8-(1H-imidazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
CID 176914329
8-[tert-butyl(diphenyl)silyl]oxy-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one
CID 140874804
(5R,7R)-7-acetyl-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one
CID 58237139
5-N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-cyclopropyl-1H-imidazole-4,5-dicarboxamide
CID 122679344
2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one
CID 66742759
5,6-bis(3-chlorophenyl)-5,6-diazaspiro[2.4]heptane-4,7-dione
CID 171843838
N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 122672262

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride?
The IUPAC name of 2-(3-chlorophenyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride (CID 45074479) is 2-(3-chlorophenyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride.
What is the SMILES notation for 2-(3-chlorophenyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride?
The canonical SMILES for 2-(3-chlorophenyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride is Cl.O=C1N(c2cccc(Cl)c2)CCC12CCNCC2.
What is the InChIKey of 2-(3-chlorophenyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride?
The InChIKey is FVVPABRHBZPGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O.ClH/c15-11-2-1-3-12(10-11)17-9-6-14(13(17)18)4-7-16-8-5-14;/h1-3,10,16H,4-9H2;1H.
What are the key properties of 2-(3-chlorophenyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride?
2-(3-chlorophenyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride has a molecular weight of 301.22 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride is sourced from PubChem (CID 45074479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).