(2S)-4-methyl-2-(naphthalen-2-ylmethyl)-1,4-diazaspiro[4.4]nonan-3-one

C19H22N2O — CID 59884074

IUPAC(2S)-4-methyl-2-(naphthalen-2-ylmethyl)-1,4-diazaspiro[4.4]nonan-3-one
SMILESCN1C(=O)[C@H](Cc2ccc3ccccc3c2)NC12CCCC2
InChIInChI=1S/C19H22N2O/c1-21-18(22)17(20-19(21)10-4-5-11-19)13-14-8-9-15-6-2-3-7-16(15)12-14/h2-3,6-9,12,17,20H,4-5,10-11,13H2,1H3/t17-/m0/s1
InChIKeyGJLXYUQITFKYBZ-KRWDZBQOSA-N
MW294.40 g/mol
LogP3.08
Rot. Bonds2

About (2S)-4-methyl-2-(naphthalen-2-ylmethyl)-1,4-diazaspiro[4.4]nonan-3-one

(2S)-4-methyl-2-(naphthalen-2-ylmethyl)-1,4-diazaspiro[4.4]nonan-3-one (PubChem CID 59884074) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is (2S)-4-methyl-2-(naphthalen-2-ylmethyl)-1,4-diazaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name(2S)-4-methyl-2-(naphthalen-2-ylmethyl)-1,4-diazaspiro[4.4]nonan-3-one
PubChem CID59884074
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name(2S)-4-methyl-2-(naphthalen-2-ylmethyl)-1,4-diazaspiro[4.4]nonan-3-one
SMILESCN1C(=O)[C@H](Cc2ccc3ccccc3c2)NC12CCCC2
InChIInChI=1S/C19H22N2O/c1-21-18(22)17(20-19(21)10-4-5-11-19)13-14-8-9-15-6-2-3-7-16(15)12-14/h2-3,6-9,12,17,20H,4-5,10-11,13H2,1H3/t17-/m0/s1
InChIKeyGJLXYUQITFKYBZ-KRWDZBQOSA-N
XLogP3.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-(S)-Amino-3-biphenyl-4-YL-propionyl)-pyrrolidine-2-(S)-carbonitrile
CID 5459374
(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-[4-(2-methylphenyl)phenyl]-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895821
(2S)-2-amino-3-(4-phenylphenyl)-1-(pyrrolidin-1-yl)propan-1-one
CID 23645380
N-butan-2-yl-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide
CID 4004542
2-(4-Methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 4463142
2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N,N-diethylacetamide
CID 5162697
2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-methylacetamide
CID 5210526
(R)-N-(naphthalen-2-ylmethyl)-N-(pyrrolidin-3-yl)propionamide
CID 11543737
(2S)-N-[(2S)-6-amino-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]-1-(2-naphthalen-1-ylacetyl)pyrrolidine-2-carboxamide
CID 146257204
(2S)-N-[(2S)-6-amino-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]-1-(2-naphthalen-1-ylacetyl)pyrrolidine-2-carboxamide
CID 146257219
(2S)-N-[(2S)-6-amino-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-methylamino]-1-oxohexan-2-yl]-1-(2-naphthalen-1-ylacetyl)pyrrolidine-2-carboxamide
CID 146257288
(2S)-2-amino-3-(naphthalen-2-yl)-1-(1,3-thiazolidin-3-yl)propan-1-one
CID 23645391

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-(naphthalen-2-ylmethyl)-1,4-diazaspiro[4.4]nonan-3-one?
The IUPAC name of (2S)-4-methyl-2-(naphthalen-2-ylmethyl)-1,4-diazaspiro[4.4]nonan-3-one (CID 59884074) is (2S)-4-methyl-2-(naphthalen-2-ylmethyl)-1,4-diazaspiro[4.4]nonan-3-one.
What is the SMILES notation for (2S)-4-methyl-2-(naphthalen-2-ylmethyl)-1,4-diazaspiro[4.4]nonan-3-one?
The canonical SMILES for (2S)-4-methyl-2-(naphthalen-2-ylmethyl)-1,4-diazaspiro[4.4]nonan-3-one is CN1C(=O)[C@H](Cc2ccc3ccccc3c2)NC12CCCC2.
What is the InChIKey of (2S)-4-methyl-2-(naphthalen-2-ylmethyl)-1,4-diazaspiro[4.4]nonan-3-one?
The InChIKey is GJLXYUQITFKYBZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22N2O/c1-21-18(22)17(20-19(21)10-4-5-11-19)13-14-8-9-15-6-2-3-7-16(15)12-14/h2-3,6-9,12,17,20H,4-5,10-11,13H2,1H3/t17-/m0/s1.
What are the key properties of (2S)-4-methyl-2-(naphthalen-2-ylmethyl)-1,4-diazaspiro[4.4]nonan-3-one?
(2S)-4-methyl-2-(naphthalen-2-ylmethyl)-1,4-diazaspiro[4.4]nonan-3-one has a molecular weight of 294.40 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-(naphthalen-2-ylmethyl)-1,4-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 59884074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).