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

C20H26N2O2 — CID 97451552

IUPAC(5R)-7-[(1S,2S)-2-methylcyclopropanecarbonyl]-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
SMILESCc1cccc(CN2CC[C@]3(CCN(C(=O)[C@H]4C[C@@H]4C)C3)C2=O)c1
InChIInChI=1S/C20H26N2O2/c1-14-4-3-5-16(10-14)12-21-8-6-20(19(21)24)7-9-22(13-20)18(23)17-11-15(17)2/h3-5,10,15,17H,6-9,11-13H2,1-2H3/t15-,17-,20+/m0/s1
InChIKeyRKLABLCBFZYICT-RIFZZMRRSA-N
MW326.44 g/mol
LogP2.60
Rot. Bonds3

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

(5R)-7-[(1S,2S)-2-methylcyclopropanecarbonyl]-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 97451552) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is (5R)-7-[(1S,2S)-2-methylcyclopropanecarbonyl]-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name(5R)-7-[(1S,2S)-2-methylcyclopropanecarbonyl]-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID97451552
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name(5R)-7-[(1S,2S)-2-methylcyclopropanecarbonyl]-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
SMILESCc1cccc(CN2CC[C@]3(CCN(C(=O)[C@H]4C[C@@H]4C)C3)C2=O)c1
InChIInChI=1S/C20H26N2O2/c1-14-4-3-5-16(10-14)12-21-8-6-20(19(21)24)7-9-22(13-20)18(23)17-11-15(17)2/h3-5,10,15,17H,6-9,11-13H2,1-2H3/t15-,17-,20+/m0/s1
InChIKeyRKLABLCBFZYICT-RIFZZMRRSA-N
XLogP2.60
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5R)-7-[(1S,2S)-2-methylcyclopropanecarbonyl]-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one with MolForge

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Related Compounds

(5R)-2-[(3-methylphenyl)methyl]-7-(2-methylpropanoyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97451547
2-(cyclopropanecarbonyl)-7-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45245252
8-[(1S,2R)-2-methylcyclopropanecarbonyl]-2-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 98896327
8-(3-hydroxycyclobutanecarbonyl)-2-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 131686090
(5S)-7-(2-methylfuran-3-carbonyl)-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 97373850
2-[(3-methylphenyl)methyl]-7-(3,3,3-trifluoropropanoyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131642620
(5R)-2-[(3-methylphenyl)methyl]-7-(pyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97373855
(5S)-2-[(3-methylphenyl)methyl]-7-(1-methylpyrrole-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97373854
(5R)-2-[(3-methylphenyl)methyl]-7-(pyrazine-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97451541
(5R)-2-[(3-methylphenyl)methyl]-7-(thiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97373851
2-butanoyl-7-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45179241
2-(3-methylbutanoyl)-7-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45198587

Frequently Asked Questions

What is the IUPAC name of (5R)-7-[(1S,2S)-2-methylcyclopropanecarbonyl]-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of (5R)-7-[(1S,2S)-2-methylcyclopropanecarbonyl]-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one (CID 97451552) is (5R)-7-[(1S,2S)-2-methylcyclopropanecarbonyl]-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for (5R)-7-[(1S,2S)-2-methylcyclopropanecarbonyl]-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for (5R)-7-[(1S,2S)-2-methylcyclopropanecarbonyl]-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one is Cc1cccc(CN2CC[C@]3(CCN(C(=O)[C@H]4C[C@@H]4C)C3)C2=O)c1.
What is the InChIKey of (5R)-7-[(1S,2S)-2-methylcyclopropanecarbonyl]-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is RKLABLCBFZYICT-RIFZZMRRSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-14-4-3-5-16(10-14)12-21-8-6-20(19(21)24)7-9-22(13-20)18(23)17-11-15(17)2/h3-5,10,15,17H,6-9,11-13H2,1-2H3/t15-,17-,20+/m0/s1.
What are the key properties of (5R)-7-[(1S,2S)-2-methylcyclopropanecarbonyl]-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one?
(5R)-7-[(1S,2S)-2-methylcyclopropanecarbonyl]-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 326.44 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-[(1S,2S)-2-methylcyclopropanecarbonyl]-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 97451552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).