(5S)-2-[2-(4,5-dimethylimidazol-1-yl)acetyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one

C18H28N4O2 — CID 97133028

IUPAC(5S)-2-[2-(4,5-dimethylimidazol-1-yl)acetyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCCCN1CCC[C@@]2(CCN(C(=O)Cn3cnc(C)c3C)C2)C1=O
InChIInChI=1S/C18H28N4O2/c1-4-8-20-9-5-6-18(17(20)24)7-10-21(12-18)16(23)11-22-13-19-14(2)15(22)3/h13H,4-12H2,1-3H3/t18-/m0/s1
InChIKeyAYXCHXSHJPZKNV-SFHVURJKSA-N
MW332.45 g/mol
LogP1.75
Rot. Bonds4

About (5S)-2-[2-(4,5-dimethylimidazol-1-yl)acetyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one

(5S)-2-[2-(4,5-dimethylimidazol-1-yl)acetyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97133028) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is (5S)-2-[2-(4,5-dimethylimidazol-1-yl)acetyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-2-[2-(4,5-dimethylimidazol-1-yl)acetyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97133028
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name(5S)-2-[2-(4,5-dimethylimidazol-1-yl)acetyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCCCN1CCC[C@@]2(CCN(C(=O)Cn3cnc(C)c3C)C2)C1=O
InChIInChI=1S/C18H28N4O2/c1-4-8-20-9-5-6-18(17(20)24)7-10-21(12-18)16(23)11-22-13-19-14(2)15(22)3/h13H,4-12H2,1-3H3/t18-/m0/s1
InChIKeyAYXCHXSHJPZKNV-SFHVURJKSA-N
XLogP1.75
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5S)-2-[2-(4,5-dimethylimidazol-1-yl)acetyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-2-[2-oxo-2-[(5S)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]phthalazin-1-one
CID 97140833
1-[2-oxo-2-[(5S)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]pyrimidine-2,4-dione
CID 97109901
2-[2-(N-methylanilino)acetyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 72940304
(5S)-2-[2-(N-methylanilino)acetyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 97156605
(5R)-2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 97125079
(5R)-7-propyl-2-(1,2-thiazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97155237
(5R)-2-[2-(benzotriazol-2-yl)acetyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 95722632
(5R)-2-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 126446329
7-(cyclopropylmethyl)-2-[2-(2-ethylimidazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72852578
7-(cyclobutylmethyl)-2-[2-(2-oxopyrimidin-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72918553
2-methyl-4-[2-oxo-2-(1-oxo-2-propyl-2,7-diazaspiro[4.4]nonan-7-yl)ethyl]phthalazin-1-one
CID 175642967
4-methyl-2-[2-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]phthalazin-1-one
CID 97137178

Frequently Asked Questions

What is the IUPAC name of (5S)-2-[2-(4,5-dimethylimidazol-1-yl)acetyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-2-[2-(4,5-dimethylimidazol-1-yl)acetyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one (CID 97133028) is (5S)-2-[2-(4,5-dimethylimidazol-1-yl)acetyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-2-[2-(4,5-dimethylimidazol-1-yl)acetyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-2-[2-(4,5-dimethylimidazol-1-yl)acetyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one is CCCN1CCC[C@@]2(CCN(C(=O)Cn3cnc(C)c3C)C2)C1=O.
What is the InChIKey of (5S)-2-[2-(4,5-dimethylimidazol-1-yl)acetyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is AYXCHXSHJPZKNV-SFHVURJKSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-4-8-20-9-5-6-18(17(20)24)7-10-21(12-18)16(23)11-22-13-19-14(2)15(22)3/h13H,4-12H2,1-3H3/t18-/m0/s1.
What are the key properties of (5S)-2-[2-(4,5-dimethylimidazol-1-yl)acetyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one?
(5S)-2-[2-(4,5-dimethylimidazol-1-yl)acetyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 332.45 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-[2-(4,5-dimethylimidazol-1-yl)acetyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97133028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).