4-phenyl-2,8-diazaspiro[4.5]decan-3-one;hydrochloride

C14H19ClN2O — CID 123134777

IUPAC4-phenyl-2,8-diazaspiro[4.5]decan-3-one;hydrochloride
SMILESCl.O=C1NCC2(CCNCC2)C1c1ccccc1
InChIInChI=1S/C14H18N2O.ClH/c17-13-12(11-4-2-1-3-5-11)14(10-16-13)6-8-15-9-7-14;/h1-5,12,15H,6-10H2,(H,16,17);1H
InChIKeyJZKYSQLYIFDYFZ-UHFFFAOYSA-N
MW266.77 g/mol
LogP1.69
Rot. Bonds1

About 4-phenyl-2,8-diazaspiro[4.5]decan-3-one;hydrochloride

4-phenyl-2,8-diazaspiro[4.5]decan-3-one;hydrochloride (PubChem CID 123134777) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 4-phenyl-2,8-diazaspiro[4.5]decan-3-one;hydrochloride.

Molecular Properties

Compound Name4-phenyl-2,8-diazaspiro[4.5]decan-3-one;hydrochloride
PubChem CID123134777
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name4-phenyl-2,8-diazaspiro[4.5]decan-3-one;hydrochloride
SMILESCl.O=C1NCC2(CCNCC2)C1c1ccccc1
InChIInChI=1S/C14H18N2O.ClH/c17-13-12(11-4-2-1-3-5-11)14(10-16-13)6-8-15-9-7-14;/h1-5,12,15H,6-10H2,(H,16,17);1H
InChIKeyJZKYSQLYIFDYFZ-UHFFFAOYSA-N
XLogP1.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2,8-diazaspiro[4.5]decan-3-one;hydrochloride?
The IUPAC name of 4-phenyl-2,8-diazaspiro[4.5]decan-3-one;hydrochloride (CID 123134777) is 4-phenyl-2,8-diazaspiro[4.5]decan-3-one;hydrochloride.
What is the SMILES notation for 4-phenyl-2,8-diazaspiro[4.5]decan-3-one;hydrochloride?
The canonical SMILES for 4-phenyl-2,8-diazaspiro[4.5]decan-3-one;hydrochloride is Cl.O=C1NCC2(CCNCC2)C1c1ccccc1.
What is the InChIKey of 4-phenyl-2,8-diazaspiro[4.5]decan-3-one;hydrochloride?
The InChIKey is JZKYSQLYIFDYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O.ClH/c17-13-12(11-4-2-1-3-5-11)14(10-16-13)6-8-15-9-7-14;/h1-5,12,15H,6-10H2,(H,16,17);1H.
What are the key properties of 4-phenyl-2,8-diazaspiro[4.5]decan-3-one;hydrochloride?
4-phenyl-2,8-diazaspiro[4.5]decan-3-one;hydrochloride has a molecular weight of 266.77 g/mol, XLogP of 1.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2,8-diazaspiro[4.5]decan-3-one;hydrochloride is sourced from PubChem (CID 123134777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).