(6R)-8-butanoyl-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one

C18H28N4O2 — CID 96578829

IUPAC(6R)-8-butanoyl-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCCC(=O)N1CCC[C@@]2(CCC(=O)N(CCc3cnc[nH]3)C2)C1
InChIInChI=1S/C18H28N4O2/c1-2-4-16(23)21-9-3-7-18(12-21)8-5-17(24)22(13-18)10-6-15-11-19-14-20-15/h11,14H,2-10,12-13H2,1H3,(H,19,20)/t18-/m1/s1
InChIKeyQFMRTQCMVFCJSP-GOSISDBHSA-N
MW332.45 g/mol
LogP1.98
Rot. Bonds5

About (6R)-8-butanoyl-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one

(6R)-8-butanoyl-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 96578829) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is (6R)-8-butanoyl-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(6R)-8-butanoyl-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID96578829
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name(6R)-8-butanoyl-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCCC(=O)N1CCC[C@@]2(CCC(=O)N(CCc3cnc[nH]3)C2)C1
InChIInChI=1S/C18H28N4O2/c1-2-4-16(23)21-9-3-7-18(12-21)8-5-17(24)22(13-18)10-6-15-11-19-14-20-15/h11,14H,2-10,12-13H2,1H3,(H,19,20)/t18-/m1/s1
InChIKeyQFMRTQCMVFCJSP-GOSISDBHSA-N
XLogP1.98
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6R)-8-butanoyl-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6R)-8-butanoyl-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (6R)-8-butanoyl-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 96578829) is (6R)-8-butanoyl-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (6R)-8-butanoyl-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (6R)-8-butanoyl-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one is CCCC(=O)N1CCC[C@@]2(CCC(=O)N(CCc3cnc[nH]3)C2)C1.
What is the InChIKey of (6R)-8-butanoyl-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is QFMRTQCMVFCJSP-GOSISDBHSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-2-4-16(23)21-9-3-7-18(12-21)8-5-17(24)22(13-18)10-6-15-11-19-14-20-15/h11,14H,2-10,12-13H2,1H3,(H,19,20)/t18-/m1/s1.
What are the key properties of (6R)-8-butanoyl-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?
(6R)-8-butanoyl-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 332.45 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-8-butanoyl-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 96578829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).