(4S)-4-phenyl-2,8-diazaspiro[4.5]decan-3-one

C14H18N2O — CID 86332310

IUPAC(4S)-4-phenyl-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1NCC2(CCNCC2)[C@@H]1c1ccccc1
InChIInChI=1S/C14H18N2O/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)/t12-/m1/s1
InChIKeyTWGUXHOVQQNFJG-GFCCVEGCSA-N
MW230.31 g/mol
LogP1.27
Rot. Bonds1

About (4S)-4-phenyl-2,8-diazaspiro[4.5]decan-3-one

(4S)-4-phenyl-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 86332310) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is (4S)-4-phenyl-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name(4S)-4-phenyl-2,8-diazaspiro[4.5]decan-3-one
PubChem CID86332310
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name(4S)-4-phenyl-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1NCC2(CCNCC2)[C@@H]1c1ccccc1
InChIInChI=1S/C14H18N2O/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)/t12-/m1/s1
InChIKeyTWGUXHOVQQNFJG-GFCCVEGCSA-N
XLogP1.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-2,8-diazaspiro[4.5]decan-3-one;hydrochloride
CID 123134777
2-phenyl-5-azaspiro[2.4]heptane
CID 84654707
(2R,3S)-2-phenyl-5-azaspiro[2.4]heptane
CID 121315230
tert-butyl (5R)-6-oxo-5-phenyl-2,7-diazaspiro[3.4]octane-2-carboxylate
CID 97111335
6-phenyl-2-oxa-8-azaspiro[4.5]decane-7,9-dione
CID 79320778
4-[(2-fluoro-4-phenylphenyl)methylamino]-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid
CID 167963149
7-phenyl-2-azaspiro[3.3]heptane
CID 121206984
6-phenyl-2-thia-8-azaspiro[4.5]decane
CID 79309118
(3R,6S)-3,6-diphenylpiperazine-2,5-dione
CID 11323083
(3S,4S)-3-fluoro-4-phenylazetidin-2-one
CID 101430981
4-[[4-(benzimidazol-1-yl)phenyl]methylamino]-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid
CID 167939681
(3R)-3-phenyl-1-oxa-8-azaspiro[4.5]decane
CID 124703511

Frequently Asked Questions

What is the IUPAC name of (4S)-4-phenyl-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of (4S)-4-phenyl-2,8-diazaspiro[4.5]decan-3-one (CID 86332310) is (4S)-4-phenyl-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for (4S)-4-phenyl-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for (4S)-4-phenyl-2,8-diazaspiro[4.5]decan-3-one is O=C1NCC2(CCNCC2)[C@@H]1c1ccccc1.
What is the InChIKey of (4S)-4-phenyl-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is TWGUXHOVQQNFJG-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18N2O/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)/t12-/m1/s1.
What are the key properties of (4S)-4-phenyl-2,8-diazaspiro[4.5]decan-3-one?
(4S)-4-phenyl-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 230.31 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-phenyl-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 86332310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).