8-[(1S,2R)-2-methylcyclopropanecarbonyl]-2-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one

C21H28N2O2 — CID 98896327

IUPAC8-[(1S,2R)-2-methylcyclopropanecarbonyl]-2-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCc1cccc(CN2CC3(CCN(C(=O)[C@H]4C[C@H]4C)CC3)CC2=O)c1
InChIInChI=1S/C21H28N2O2/c1-15-4-3-5-17(10-15)13-23-14-21(12-19(23)24)6-8-22(9-7-21)20(25)18-11-16(18)2/h3-5,10,16,18H,6-9,11-14H2,1-2H3/t16-,18+/m1/s1
InChIKeyLADSKUBJDGLLOK-AEFFLSMTSA-N
MW340.47 g/mol
LogP2.99
Rot. Bonds3

About 8-[(1S,2R)-2-methylcyclopropanecarbonyl]-2-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one

8-[(1S,2R)-2-methylcyclopropanecarbonyl]-2-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 98896327) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 8-[(1S,2R)-2-methylcyclopropanecarbonyl]-2-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[(1S,2R)-2-methylcyclopropanecarbonyl]-2-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID98896327
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name8-[(1S,2R)-2-methylcyclopropanecarbonyl]-2-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCc1cccc(CN2CC3(CCN(C(=O)[C@H]4C[C@H]4C)CC3)CC2=O)c1
InChIInChI=1S/C21H28N2O2/c1-15-4-3-5-17(10-15)13-23-14-21(12-19(23)24)6-8-22(9-7-21)20(25)18-11-16(18)2/h3-5,10,16,18H,6-9,11-14H2,1-2H3/t16-,18+/m1/s1
InChIKeyLADSKUBJDGLLOK-AEFFLSMTSA-N
XLogP2.99
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-7-[(1S,2S)-2-methylcyclopropanecarbonyl]-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 97451552
8-ethylsulfonyl-2-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 98896280
8-(3-hydroxycyclobutanecarbonyl)-2-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 131686090
8-(3,5-dimethylbenzoyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 131680168
2-benzyl-8-(4-methylpiperazine-1-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70746596
8-(cyclopropanecarbonyl)-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72856538
8-[(2S)-3-hydroxy-2-(methylamino)propanoyl]-2-[(3-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70769440
8-(4,6-dichloropyridine-3-carbonyl)-2-[(3-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 155870779
2-benzyl-8-[(5S)-3-ethyl-4,5-dihydro-1,2-oxazole-5-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
CID 97277141
2-(cyclopropanecarbonyl)-7-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45245252
2-[(3-fluorophenyl)methyl]-8-[4-(methoxymethyl)benzoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 155873955
(5R)-2-[(3-methylphenyl)methyl]-7-(2-methylpropanoyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97451547

Frequently Asked Questions

What is the IUPAC name of 8-[(1S,2R)-2-methylcyclopropanecarbonyl]-2-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-[(1S,2R)-2-methylcyclopropanecarbonyl]-2-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one (CID 98896327) is 8-[(1S,2R)-2-methylcyclopropanecarbonyl]-2-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[(1S,2R)-2-methylcyclopropanecarbonyl]-2-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[(1S,2R)-2-methylcyclopropanecarbonyl]-2-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one is Cc1cccc(CN2CC3(CCN(C(=O)[C@H]4C[C@H]4C)CC3)CC2=O)c1.
What is the InChIKey of 8-[(1S,2R)-2-methylcyclopropanecarbonyl]-2-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is LADSKUBJDGLLOK-AEFFLSMTSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-15-4-3-5-17(10-15)13-23-14-21(12-19(23)24)6-8-22(9-7-21)20(25)18-11-16(18)2/h3-5,10,16,18H,6-9,11-14H2,1-2H3/t16-,18+/m1/s1.
What are the key properties of 8-[(1S,2R)-2-methylcyclopropanecarbonyl]-2-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one?
8-[(1S,2R)-2-methylcyclopropanecarbonyl]-2-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 340.47 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1S,2R)-2-methylcyclopropanecarbonyl]-2-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 98896327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).