3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile

C28H34N4O2 — CID 130201244

IUPAC3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cccc(C#N)c1)C(=O)N2CC1(O)CCC1
InChIInChI=1S/C28H34N4O2/c1-30(2)28(23-9-4-3-5-10-23)16-14-26(15-17-28)20-31(24-11-6-8-22(18-24)19-29)25(33)32(26)21-27(34)12-7-13-27/h3-6,8-11,18,34H,7,12-17,20-21H2,1-2H3
InChIKeyGYNQYQHRBISRPE-UHFFFAOYSA-N
MW458.61 g/mol
LogP4.49
Rot. Bonds5

About 3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile

3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile (PubChem CID 130201244) has the molecular formula C28H34N4O2 and a molecular weight of 458.61 g/mol. Its IUPAC name is 3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile.

Molecular Properties

Compound Name3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile
PubChem CID130201244
Molecular FormulaC28H34N4O2
Molecular Weight458.61 g/mol
Exact Mass458.27
IUPAC Name3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cccc(C#N)c1)C(=O)N2CC1(O)CCC1
InChIInChI=1S/C28H34N4O2/c1-30(2)28(23-9-4-3-5-10-23)16-14-26(15-17-28)20-31(24-11-6-8-22(18-24)19-29)25(33)32(26)21-27(34)12-7-13-27/h3-6,8-11,18,34H,7,12-17,20-21H2,1-2H3
InChIKeyGYNQYQHRBISRPE-UHFFFAOYSA-N
XLogP4.49
TPSA70.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.61
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile 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 3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile?
The IUPAC name of 3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile (CID 130201244) is 3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile.
What is the SMILES notation for 3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile?
The canonical SMILES for 3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cccc(C#N)c1)C(=O)N2CC1(O)CCC1.
What is the InChIKey of 3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile?
The InChIKey is GYNQYQHRBISRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O2/c1-30(2)28(23-9-4-3-5-10-23)16-14-26(15-17-28)20-31(24-11-6-8-22(18-24)19-29)25(33)32(26)21-27(34)12-7-13-27/h3-6,8-11,18,34H,7,12-17,20-21H2,1-2H3.
What are the key properties of 3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile?
3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile has a molecular weight of 458.61 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile is sourced from PubChem (CID 130201244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).