2-[(2-chlorophenyl)methyl]-2,9-diazaspiro[4.5]decan-1-one;hydrochloride

C15H20Cl2N2O — CID 45074173

IUPAC2-[(2-chlorophenyl)methyl]-2,9-diazaspiro[4.5]decan-1-one;hydrochloride
SMILESCl.O=C1N(Cc2ccccc2Cl)CCC12CCCNC2
InChIInChI=1S/C15H19ClN2O.ClH/c16-13-5-2-1-4-12(13)10-18-9-7-15(14(18)19)6-3-8-17-11-15;/h1-2,4-5,17H,3,6-11H2;1H
InChIKeyQHNPLNHIRDSPBQ-UHFFFAOYSA-N
MW315.24 g/mol
LogP2.86
Rot. Bonds2

About 2-[(2-chlorophenyl)methyl]-2,9-diazaspiro[4.5]decan-1-one;hydrochloride

2-[(2-chlorophenyl)methyl]-2,9-diazaspiro[4.5]decan-1-one;hydrochloride (PubChem CID 45074173) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-2,9-diazaspiro[4.5]decan-1-one;hydrochloride.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-2,9-diazaspiro[4.5]decan-1-one;hydrochloride
PubChem CID45074173
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC Name2-[(2-chlorophenyl)methyl]-2,9-diazaspiro[4.5]decan-1-one;hydrochloride
SMILESCl.O=C1N(Cc2ccccc2Cl)CCC12CCCNC2
InChIInChI=1S/C15H19ClN2O.ClH/c16-13-5-2-1-4-12(13)10-18-9-7-15(14(18)19)6-3-8-17-11-15;/h1-2,4-5,17H,3,6-11H2;1H
InChIKeyQHNPLNHIRDSPBQ-UHFFFAOYSA-N
XLogP2.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-fluorophenyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one;hydrochloride
CID 45074394
2-[(2-iodophenyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one
CID 45074407
(5R)-2-[(2-chlorophenyl)methyl]-2,9-diazaspiro[4.5]decane-1,3-dione
CID 97449189
2-[(1-oxo-2,8-diazaspiro[5.5]undecan-2-yl)methyl]benzonitrile
CID 45074383
2-[(4-nitrophenyl)methyl]-2,9-diazaspiro[4.5]decan-1-one;hydrochloride
CID 45074137
(5R)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one
CID 97490526
(5R)-2-ethyl-2,9-diazaspiro[4.5]decan-1-one
CID 92775014
2-[(2-iodophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 45074112
2-benzyl-8-[(3-hydroxypiperidin-3-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 70711310
7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 56900937
2-[(3-nitrophenyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one;hydrochloride
CID 45074374
2-[(2-aminophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one
CID 45074352

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-2,9-diazaspiro[4.5]decan-1-one;hydrochloride?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-2,9-diazaspiro[4.5]decan-1-one;hydrochloride (CID 45074173) is 2-[(2-chlorophenyl)methyl]-2,9-diazaspiro[4.5]decan-1-one;hydrochloride.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-2,9-diazaspiro[4.5]decan-1-one;hydrochloride?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-2,9-diazaspiro[4.5]decan-1-one;hydrochloride is Cl.O=C1N(Cc2ccccc2Cl)CCC12CCCNC2.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-2,9-diazaspiro[4.5]decan-1-one;hydrochloride?
The InChIKey is QHNPLNHIRDSPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O.ClH/c16-13-5-2-1-4-12(13)10-18-9-7-15(14(18)19)6-3-8-17-11-15;/h1-2,4-5,17H,3,6-11H2;1H.
What are the key properties of 2-[(2-chlorophenyl)methyl]-2,9-diazaspiro[4.5]decan-1-one;hydrochloride?
2-[(2-chlorophenyl)methyl]-2,9-diazaspiro[4.5]decan-1-one;hydrochloride has a molecular weight of 315.24 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-2,9-diazaspiro[4.5]decan-1-one;hydrochloride is sourced from PubChem (CID 45074173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).