4-[[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]methyl]benzonitrile

C20H27N3O — CID 72930130

IUPAC4-[[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]methyl]benzonitrile
SMILESCC(C)CN1CC2(CCN(Cc3ccc(C#N)cc3)CC2)CC1=O
InChIInChI=1S/C20H27N3O/c1-16(2)13-23-15-20(11-19(23)24)7-9-22(10-8-20)14-18-5-3-17(12-21)4-6-18/h3-6,16H,7-11,13-15H2,1-2H3
InChIKeyMDTPKYLYVDKPKY-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.03
Rot. Bonds4

About 4-[[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]methyl]benzonitrile

4-[[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]methyl]benzonitrile (PubChem CID 72930130) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 4-[[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]methyl]benzonitrile
PubChem CID72930130
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name4-[[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]methyl]benzonitrile
SMILESCC(C)CN1CC2(CCN(Cc3ccc(C#N)cc3)CC2)CC1=O
InChIInChI=1S/C20H27N3O/c1-16(2)13-23-15-20(11-19(23)24)7-9-22(10-8-20)14-18-5-3-17(12-21)4-6-18/h3-6,16H,7-11,13-15H2,1-2H3
InChIKeyMDTPKYLYVDKPKY-UHFFFAOYSA-N
XLogP3.03
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]methyl]benzonitrile with MolForge

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Related Compounds

2-[9-[(4-cyanophenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid
CID 72926826
4-[[2-(3-hydroxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]methyl]benzonitrile
CID 70782249
2-[(4-chlorophenyl)methyl]-8-[(2S)-3-hydroxy-2-methylpropyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70783678
10-benzyl-2-(2-methylpropyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one
CID 131679011
4-[(4-propan-2-ylpiperazin-1-yl)methyl]benzonitrile
CID 43400997
4-[(9-acetyl-2,9-diazaspiro[5.5]undecan-2-yl)methyl]benzonitrile
CID 3233592
4-[(4-oxopiperidin-1-yl)methyl]benzonitrile
CID 10921862
4-[[(2S,6R)-4-ethyl-2-methyl-3-oxo-1-oxa-4,10-diazaspiro[5.6]dodecan-10-yl]methyl]benzonitrile
CID 129070049
2-[(3,4-difluorophenyl)methyl]-8-ethyl-2,8-diazaspiro[4.5]decan-3-one
CID 70728701
4-[(4-hydroxy-4-methylazepan-1-yl)methyl]benzonitrile
CID 107404533
2-(2-methylpropyl)-8-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72846570
9-[(4-fluorophenyl)methyl]-1-methyl-4-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97373317

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]methyl]benzonitrile?
The IUPAC name of 4-[[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]methyl]benzonitrile (CID 72930130) is 4-[[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]methyl]benzonitrile is CC(C)CN1CC2(CCN(Cc3ccc(C#N)cc3)CC2)CC1=O.
What is the InChIKey of 4-[[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]methyl]benzonitrile?
The InChIKey is MDTPKYLYVDKPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-16(2)13-23-15-20(11-19(23)24)7-9-22(10-8-20)14-18-5-3-17(12-21)4-6-18/h3-6,16H,7-11,13-15H2,1-2H3.
What are the key properties of 4-[[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]methyl]benzonitrile?
4-[[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]methyl]benzonitrile has a molecular weight of 325.46 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]methyl]benzonitrile is sourced from PubChem (CID 72930130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).