9-[3-(dimethylamino)benzoyl]-2-[2-(dimethylamino)ethyl]-2,9-diazaspiro[5.5]undecan-3-one

C22H34N4O2 — CID 72869234

IUPAC9-[3-(dimethylamino)benzoyl]-2-[2-(dimethylamino)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCN(C)CCN1CC2(CCC1=O)CCN(C(=O)c1cccc(N(C)C)c1)CC2
InChIInChI=1S/C22H34N4O2/c1-23(2)14-15-26-17-22(9-8-20(26)27)10-12-25(13-11-22)21(28)18-6-5-7-19(16-18)24(3)4/h5-7,16H,8-15,17H2,1-4H3
InChIKeyBKSDDZYYJAOVJO-UHFFFAOYSA-N
MW386.54 g/mol
LogP2.16
Rot. Bonds5

About 9-[3-(dimethylamino)benzoyl]-2-[2-(dimethylamino)ethyl]-2,9-diazaspiro[5.5]undecan-3-one

9-[3-(dimethylamino)benzoyl]-2-[2-(dimethylamino)ethyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72869234) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is 9-[3-(dimethylamino)benzoyl]-2-[2-(dimethylamino)ethyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[3-(dimethylamino)benzoyl]-2-[2-(dimethylamino)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72869234
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC Name9-[3-(dimethylamino)benzoyl]-2-[2-(dimethylamino)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCN(C)CCN1CC2(CCC1=O)CCN(C(=O)c1cccc(N(C)C)c1)CC2
InChIInChI=1S/C22H34N4O2/c1-23(2)14-15-26-17-22(9-8-20(26)27)10-12-25(13-11-22)21(28)18-6-5-7-19(16-18)24(3)4/h5-7,16H,8-15,17H2,1-4H3
InChIKeyBKSDDZYYJAOVJO-UHFFFAOYSA-N
XLogP2.16
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-[3-(dimethylamino)benzoyl]-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70744129
2-[2-(dimethylamino)ethyl]-9-(5-ethyl-1H-pyrrole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72867065
9-(3-hydroxybenzoyl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72905387
N-benzyl-2-[2-(dimethylamino)ethyl]-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 72916067
(3R)-8-[3-(dimethylamino)benzoyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95728540
2-(2-hydroxyethyl)-9-(3-hydroxy-4-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72871813
2-(2-hydroxyethyl)-9-(4-hydroxy-3-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72936387
9-(3-methylbenzoyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72905211
9-(3-hydroxybenzoyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72903406
azepan-1-yl-[3-(dimethylamino)phenyl]methanone
CID 23857554
9-(3-chlorobenzoyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72839599
2-[2-(dimethylamino)ethyl]-9-[(2S)-2-pyrazol-1-ylbutanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97112348

Frequently Asked Questions

What is the IUPAC name of 9-[3-(dimethylamino)benzoyl]-2-[2-(dimethylamino)ethyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[3-(dimethylamino)benzoyl]-2-[2-(dimethylamino)ethyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 72869234) is 9-[3-(dimethylamino)benzoyl]-2-[2-(dimethylamino)ethyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[3-(dimethylamino)benzoyl]-2-[2-(dimethylamino)ethyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[3-(dimethylamino)benzoyl]-2-[2-(dimethylamino)ethyl]-2,9-diazaspiro[5.5]undecan-3-one is CN(C)CCN1CC2(CCC1=O)CCN(C(=O)c1cccc(N(C)C)c1)CC2.
What is the InChIKey of 9-[3-(dimethylamino)benzoyl]-2-[2-(dimethylamino)ethyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is BKSDDZYYJAOVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-23(2)14-15-26-17-22(9-8-20(26)27)10-12-25(13-11-22)21(28)18-6-5-7-19(16-18)24(3)4/h5-7,16H,8-15,17H2,1-4H3.
What are the key properties of 9-[3-(dimethylamino)benzoyl]-2-[2-(dimethylamino)ethyl]-2,9-diazaspiro[5.5]undecan-3-one?
9-[3-(dimethylamino)benzoyl]-2-[2-(dimethylamino)ethyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 386.54 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(dimethylamino)benzoyl]-2-[2-(dimethylamino)ethyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72869234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).