3-benzyl-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C23H29N3O — CID 130200576

IUPAC3-benzyl-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(Cc1ccccc1)C(=O)N2
InChIInChI=1S/C23H29N3O/c1-25(2)23(20-11-7-4-8-12-20)15-13-22(14-16-23)18-26(21(27)24-22)17-19-9-5-3-6-10-19/h3-12H,13-18H2,1-2H3,(H,24,27)
InChIKeyUGMHTGXNTSNAJX-UHFFFAOYSA-N
MW363.50 g/mol
LogP3.98
Rot. Bonds4

About 3-benzyl-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

3-benzyl-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130200576) has the molecular formula C23H29N3O and a molecular weight of 363.50 g/mol. Its IUPAC name is 3-benzyl-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-benzyl-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130200576
Molecular FormulaC23H29N3O
Molecular Weight363.50 g/mol
Exact Mass363.23
IUPAC Name3-benzyl-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(Cc1ccccc1)C(=O)N2
InChIInChI=1S/C23H29N3O/c1-25(2)23(20-11-7-4-8-12-20)15-13-22(14-16-23)18-26(21(27)24-22)17-19-9-5-3-6-10-19/h3-12H,13-18H2,1-2H3,(H,24,27)
InChIKeyUGMHTGXNTSNAJX-UHFFFAOYSA-N
XLogP3.98
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-benzyl-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130200576) is 3-benzyl-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-benzyl-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-benzyl-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(Cc1ccccc1)C(=O)N2.
What is the InChIKey of 3-benzyl-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is UGMHTGXNTSNAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-25(2)23(20-11-7-4-8-12-20)15-13-22(14-16-23)18-26(21(27)24-22)17-19-9-5-3-6-10-19/h3-12H,13-18H2,1-2H3,(H,24,27).
What are the key properties of 3-benzyl-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
3-benzyl-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 363.50 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130200576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).