(5S)-2-[(3-methylphenyl)methyl]-7-[(3R)-oxolan-3-yl]-2,7-diazaspiro[4.4]nonan-1-one

C19H26N2O2 — CID 124521399

IUPAC(5S)-2-[(3-methylphenyl)methyl]-7-[(3R)-oxolan-3-yl]-2,7-diazaspiro[4.4]nonan-1-one
SMILESCc1cccc(CN2CC[C@]3(CCN([C@@H]4CCOC4)C3)C2=O)c1
InChIInChI=1S/C19H26N2O2/c1-15-3-2-4-16(11-15)12-20-8-6-19(18(20)22)7-9-21(14-19)17-5-10-23-13-17/h2-4,11,17H,5-10,12-14H2,1H3/t17-,19-/m1/s1
InChIKeyJSRGPKBCSAYGIF-IEBWSBKVSA-N
MW314.43 g/mol
LogP2.21
Rot. Bonds3

About (5S)-2-[(3-methylphenyl)methyl]-7-[(3R)-oxolan-3-yl]-2,7-diazaspiro[4.4]nonan-1-one

(5S)-2-[(3-methylphenyl)methyl]-7-[(3R)-oxolan-3-yl]-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 124521399) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is (5S)-2-[(3-methylphenyl)methyl]-7-[(3R)-oxolan-3-yl]-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name(5S)-2-[(3-methylphenyl)methyl]-7-[(3R)-oxolan-3-yl]-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID124521399
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name(5S)-2-[(3-methylphenyl)methyl]-7-[(3R)-oxolan-3-yl]-2,7-diazaspiro[4.4]nonan-1-one
SMILESCc1cccc(CN2CC[C@]3(CCN([C@@H]4CCOC4)C3)C2=O)c1
InChIInChI=1S/C19H26N2O2/c1-15-3-2-4-16(11-15)12-20-8-6-19(18(20)22)7-9-21(14-19)17-5-10-23-13-17/h2-4,11,17H,5-10,12-14H2,1H3/t17-,19-/m1/s1
InChIKeyJSRGPKBCSAYGIF-IEBWSBKVSA-N
XLogP2.21
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-ethylsulfonyl-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 131659144
7-[(3,4-difluorophenyl)methyl]-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 45232194
(5R)-2-[(3-methylphenyl)methyl]-7-(2-methylpropanoyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97451547
(5R)-2-[(3-methylphenyl)methyl]-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97373826
(5R)-7-[(1S,2S)-2-methylcyclopropanecarbonyl]-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 97451552
(5R)-2-[(3-methylphenyl)methyl]-7-(6-methyl-2-pyridinyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97385757
2-(cyclopropanecarbonyl)-7-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45245252
(5R)-7-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 97373838
2-[(3-methylphenyl)methyl]-7-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 118744004
(5S)-7-(2-methylfuran-3-carbonyl)-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 97373850
(5S)-2-[(3-methylphenyl)methyl]-7-(1-methylpyrrole-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97373854
2-[(3-methylphenyl)methyl]-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131643293

Frequently Asked Questions

What is the IUPAC name of (5S)-2-[(3-methylphenyl)methyl]-7-[(3R)-oxolan-3-yl]-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of (5S)-2-[(3-methylphenyl)methyl]-7-[(3R)-oxolan-3-yl]-2,7-diazaspiro[4.4]nonan-1-one (CID 124521399) is (5S)-2-[(3-methylphenyl)methyl]-7-[(3R)-oxolan-3-yl]-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for (5S)-2-[(3-methylphenyl)methyl]-7-[(3R)-oxolan-3-yl]-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for (5S)-2-[(3-methylphenyl)methyl]-7-[(3R)-oxolan-3-yl]-2,7-diazaspiro[4.4]nonan-1-one is Cc1cccc(CN2CC[C@]3(CCN([C@@H]4CCOC4)C3)C2=O)c1.
What is the InChIKey of (5S)-2-[(3-methylphenyl)methyl]-7-[(3R)-oxolan-3-yl]-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is JSRGPKBCSAYGIF-IEBWSBKVSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-15-3-2-4-16(11-15)12-20-8-6-19(18(20)22)7-9-21(14-19)17-5-10-23-13-17/h2-4,11,17H,5-10,12-14H2,1H3/t17-,19-/m1/s1.
What are the key properties of (5S)-2-[(3-methylphenyl)methyl]-7-[(3R)-oxolan-3-yl]-2,7-diazaspiro[4.4]nonan-1-one?
(5S)-2-[(3-methylphenyl)methyl]-7-[(3R)-oxolan-3-yl]-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 314.43 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-[(3-methylphenyl)methyl]-7-[(3R)-oxolan-3-yl]-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 124521399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).