8-(naphthalen-1-ylmethyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

C25H26N2O — CID 72851262

IUPAC8-(naphthalen-1-ylmethyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NC2(CCN(Cc3cccc4ccccc34)CC2)CC1c1ccccc1
InChIInChI=1S/C25H26N2O/c28-24-23(20-7-2-1-3-8-20)17-25(26-24)13-15-27(16-14-25)18-21-11-6-10-19-9-4-5-12-22(19)21/h1-12,23H,13-18H2,(H,26,28)
InChIKeyJRUBVNUZEPQLHW-UHFFFAOYSA-N
MW370.50 g/mol
LogP4.48
Rot. Bonds3

About 8-(naphthalen-1-ylmethyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

8-(naphthalen-1-ylmethyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 72851262) has the molecular formula C25H26N2O and a molecular weight of 370.50 g/mol. Its IUPAC name is 8-(naphthalen-1-ylmethyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(naphthalen-1-ylmethyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID72851262
Molecular FormulaC25H26N2O
Molecular Weight370.50 g/mol
Exact Mass370.20
IUPAC Name8-(naphthalen-1-ylmethyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NC2(CCN(Cc3cccc4ccccc34)CC2)CC1c1ccccc1
InChIInChI=1S/C25H26N2O/c28-24-23(20-7-2-1-3-8-20)17-25(26-24)13-15-27(16-14-25)18-21-11-6-10-19-9-4-5-12-22(19)21/h1-12,23H,13-18H2,(H,26,28)
InChIKeyJRUBVNUZEPQLHW-UHFFFAOYSA-N
XLogP4.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-8-[(2-methylsulfanylphenyl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97190791
(3R)-8-[[2-(furan-2-yl)phenyl]methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97199846
(3S)-3-phenyl-8-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 126435844
(3R)-8-[(5-methylfuran-2-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 126441595
8-[(2-fluoro-4-methoxyphenyl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 72881025
(3S)-8-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 126449511
(3S)-8-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97200009
(3S)-8-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97286307
8-(2-hydroxyethyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 118742830
(3S)-8-[(4-fluoro-3-methoxyphenyl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 126447848
8-(cyclopropylmethyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 118742826
(3R)-8-(2-methylsulfanylacetyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97210266

Frequently Asked Questions

What is the IUPAC name of 8-(naphthalen-1-ylmethyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(naphthalen-1-ylmethyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one (CID 72851262) is 8-(naphthalen-1-ylmethyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(naphthalen-1-ylmethyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(naphthalen-1-ylmethyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one is O=C1NC2(CCN(Cc3cccc4ccccc34)CC2)CC1c1ccccc1.
What is the InChIKey of 8-(naphthalen-1-ylmethyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is JRUBVNUZEPQLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O/c28-24-23(20-7-2-1-3-8-20)17-25(26-24)13-15-27(16-14-25)18-21-11-6-10-19-9-4-5-12-22(19)21/h1-12,23H,13-18H2,(H,26,28).
What are the key properties of 8-(naphthalen-1-ylmethyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
8-(naphthalen-1-ylmethyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 370.50 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(naphthalen-1-ylmethyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 72851262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).