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

C21H29N5O — CID 130202397

IUPAC8-(dimethylamino)-3-(2-imidazol-1-ylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CCn1ccnc1)C(=O)N2
InChIInChI=1S/C21H29N5O/c1-24(2)21(18-6-4-3-5-7-18)10-8-20(9-11-21)16-26(19(27)23-20)15-14-25-13-12-22-17-25/h3-7,12-13,17H,8-11,14-16H2,1-2H3,(H,23,27)
InChIKeyZCLDCJBPOKYYLS-UHFFFAOYSA-N
MW367.50 g/mol
LogP2.68
Rot. Bonds5

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

8-(dimethylamino)-3-(2-imidazol-1-ylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130202397) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is 8-(dimethylamino)-3-(2-imidazol-1-ylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-3-(2-imidazol-1-ylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130202397
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name8-(dimethylamino)-3-(2-imidazol-1-ylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CCn1ccnc1)C(=O)N2
InChIInChI=1S/C21H29N5O/c1-24(2)21(18-6-4-3-5-7-18)10-8-20(9-11-21)16-26(19(27)23-20)15-14-25-13-12-22-17-25/h3-7,12-13,17H,8-11,14-16H2,1-2H3,(H,23,27)
InChIKeyZCLDCJBPOKYYLS-UHFFFAOYSA-N
XLogP2.68
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-3-(2-imidazol-1-ylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-3-(2-imidazol-1-ylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130202397) is 8-(dimethylamino)-3-(2-imidazol-1-ylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-3-(2-imidazol-1-ylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-3-(2-imidazol-1-ylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CCn1ccnc1)C(=O)N2.
What is the InChIKey of 8-(dimethylamino)-3-(2-imidazol-1-ylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is ZCLDCJBPOKYYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-24(2)21(18-6-4-3-5-7-18)10-8-20(9-11-21)16-26(19(27)23-20)15-14-25-13-12-22-17-25/h3-7,12-13,17H,8-11,14-16H2,1-2H3,(H,23,27).
What are the key properties of 8-(dimethylamino)-3-(2-imidazol-1-ylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-3-(2-imidazol-1-ylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 367.50 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-3-(2-imidazol-1-ylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130202397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).