2-[2-(3-hydroxy-1-adamantyl)acetyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one

C21H32N2O3 — CID 56746766

IUPAC2-[2-(3-hydroxy-1-adamantyl)acetyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCCC2(CCN(C(=O)CC34CC5CC(CC(O)(C5)C3)C4)C2)C1=O
InChIInChI=1S/C21H32N2O3/c1-22-5-2-3-20(18(22)25)4-6-23(14-20)17(24)12-19-8-15-7-16(9-19)11-21(26,10-15)13-19/h15-16,26H,2-14H2,1H3
InChIKeyIWADYDUKFYBKIQ-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.18
Rot. Bonds2

About 2-[2-(3-hydroxy-1-adamantyl)acetyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one

2-[2-(3-hydroxy-1-adamantyl)acetyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 56746766) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is 2-[2-(3-hydroxy-1-adamantyl)acetyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-[2-(3-hydroxy-1-adamantyl)acetyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID56746766
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC Name2-[2-(3-hydroxy-1-adamantyl)acetyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCCC2(CCN(C(=O)CC34CC5CC(CC(O)(C5)C3)C4)C2)C1=O
InChIInChI=1S/C21H32N2O3/c1-22-5-2-3-20(18(22)25)4-6-23(14-20)17(24)12-19-8-15-7-16(9-19)11-21(26,10-15)13-19/h15-16,26H,2-14H2,1H3
InChIKeyIWADYDUKFYBKIQ-UHFFFAOYSA-N
XLogP2.18
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-2-[2-[(5R,7R)-3-hydroxy-1-adamantyl]acetyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 99953870
5,5-dimethyl-1-[2-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 72934259
(5R)-2-[3-(4-fluorophenyl)propanoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 97156965
N-(4-ethoxyphenyl)-3-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-3-oxopropanamide
CID 95197913
1-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-morpholin-4-ylethane-1,2-dione
CID 95221755
2,2-dimethylpropyl (5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxylate
CID 95200256
2-[2-(3,4-difluorophenyl)acetyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 45205435
(5R)-7-methyl-2-[2-(1-methylindol-3-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 42291921
2-(4-ethenylbenzoyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 45205610
3-[3-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-3-oxopropyl]quinazolin-4-one
CID 95201784
(5S)-7-methyl-2-[2-[3-(trifluoromethyl)phenyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97113122
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(5S,7R)-3-hydroxy-1-adamantyl]ethanone
CID 9368840

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-hydroxy-1-adamantyl)acetyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-[2-(3-hydroxy-1-adamantyl)acetyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one (CID 56746766) is 2-[2-(3-hydroxy-1-adamantyl)acetyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-[2-(3-hydroxy-1-adamantyl)acetyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-[2-(3-hydroxy-1-adamantyl)acetyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one is CN1CCCC2(CCN(C(=O)CC34CC5CC(CC(O)(C5)C3)C4)C2)C1=O.
What is the InChIKey of 2-[2-(3-hydroxy-1-adamantyl)acetyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is IWADYDUKFYBKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-22-5-2-3-20(18(22)25)4-6-23(14-20)17(24)12-19-8-15-7-16(9-19)11-21(26,10-15)13-19/h15-16,26H,2-14H2,1H3.
What are the key properties of 2-[2-(3-hydroxy-1-adamantyl)acetyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
2-[2-(3-hydroxy-1-adamantyl)acetyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 360.50 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-hydroxy-1-adamantyl)acetyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 56746766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).