4-[[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methyl]benzonitrile

C19H27N3O — CID 91922078

IUPAC4-[[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methyl]benzonitrile
SMILESCOCC1CN(C)CC12CCN(Cc1ccc(C#N)cc1)CC2
InChIInChI=1S/C19H27N3O/c1-21-13-18(14-23-2)19(15-21)7-9-22(10-8-19)12-17-5-3-16(11-20)4-6-17/h3-6,18H,7-10,12-15H2,1-2H3
InChIKeyYYONLEWZPKOSKD-UHFFFAOYSA-N
MW313.44 g/mol
LogP2.35
Rot. Bonds4

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

4-[[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methyl]benzonitrile (PubChem CID 91922078) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is 4-[[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methyl]benzonitrile
PubChem CID91922078
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC Name4-[[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methyl]benzonitrile
SMILESCOCC1CN(C)CC12CCN(Cc1ccc(C#N)cc1)CC2
InChIInChI=1S/C19H27N3O/c1-21-13-18(14-23-2)19(15-21)7-9-22(10-8-19)12-17-5-3-16(11-20)4-6-17/h3-6,18H,7-10,12-15H2,1-2H3
InChIKeyYYONLEWZPKOSKD-UHFFFAOYSA-N
XLogP2.35
TPSA39.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methyl]benzonitrile?
The IUPAC name of 4-[[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methyl]benzonitrile (CID 91922078) is 4-[[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methyl]benzonitrile is COCC1CN(C)CC12CCN(Cc1ccc(C#N)cc1)CC2.
What is the InChIKey of 4-[[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methyl]benzonitrile?
The InChIKey is YYONLEWZPKOSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-21-13-18(14-23-2)19(15-21)7-9-22(10-8-19)12-17-5-3-16(11-20)4-6-17/h3-6,18H,7-10,12-15H2,1-2H3.
What are the key properties of 4-[[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methyl]benzonitrile?
4-[[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methyl]benzonitrile has a molecular weight of 313.44 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methyl]benzonitrile is sourced from PubChem (CID 91922078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).