8-[3-(dimethylamino)benzoyl]-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one

C22H34N4O2 — CID 70744129

IUPAC8-[3-(dimethylamino)benzoyl]-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCN(C)CCN1CC2(CCCN(C(=O)c3cccc(N(C)C)c3)C2)CCC1=O
InChIInChI=1S/C22H34N4O2/c1-23(2)13-14-25-16-22(11-9-20(25)27)10-6-12-26(17-22)21(28)18-7-5-8-19(15-18)24(3)4/h5,7-8,15H,6,9-14,16-17H2,1-4H3
InChIKeyDQVYRNJVDRFTMH-UHFFFAOYSA-N
MW386.54 g/mol
LogP2.16
Rot. Bonds5

About 8-[3-(dimethylamino)benzoyl]-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one

8-[3-(dimethylamino)benzoyl]-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70744129) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is 8-[3-(dimethylamino)benzoyl]-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name8-[3-(dimethylamino)benzoyl]-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70744129
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC Name8-[3-(dimethylamino)benzoyl]-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCN(C)CCN1CC2(CCCN(C(=O)c3cccc(N(C)C)c3)C2)CCC1=O
InChIInChI=1S/C22H34N4O2/c1-23(2)13-14-25-16-22(11-9-20(25)27)10-6-12-26(17-22)21(28)18-7-5-8-19(15-18)24(3)4/h5,7-8,15H,6,9-14,16-17H2,1-4H3
InChIKeyDQVYRNJVDRFTMH-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

9-[3-(dimethylamino)benzoyl]-2-[2-(dimethylamino)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72869234
2-ethyl-8-(3-phenylbenzoyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 118792475
(6R)-2-[2-(dimethylamino)ethyl]-8-(5-methyl-1H-imidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95896292
(6R)-8-(3,5-difluoropyridine-2-carbonyl)-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 96578486
2-[2-(dimethylamino)ethyl]-8-[3-(2-fluorophenyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70724925
(6R)-8-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 95872441
(6S)-8-[2-[2-(dimethylamino)ethyl]-5-methylpyrazole-3-carbonyl]-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one
CID 95873836
8-(3-hydroxybenzoyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 72849066
[(6S)-11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(3-hydroxyphenyl)methanone
CID 97397952
azepan-1-yl-[3-(dimethylamino)phenyl]methanone
CID 23857554
(6S)-2-(3-hydroxypropyl)-8-(1H-indole-6-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96574143
(6S)-8-(3-cyclopropyl-5-methyl-1H-pyrazole-4-carbonyl)-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 95869000

Frequently Asked Questions

What is the IUPAC name of 8-[3-(dimethylamino)benzoyl]-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 8-[3-(dimethylamino)benzoyl]-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 70744129) is 8-[3-(dimethylamino)benzoyl]-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 8-[3-(dimethylamino)benzoyl]-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 8-[3-(dimethylamino)benzoyl]-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one is CN(C)CCN1CC2(CCCN(C(=O)c3cccc(N(C)C)c3)C2)CCC1=O.
What is the InChIKey of 8-[3-(dimethylamino)benzoyl]-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is DQVYRNJVDRFTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-23(2)13-14-25-16-22(11-9-20(25)27)10-6-12-26(17-22)21(28)18-7-5-8-19(15-18)24(3)4/h5,7-8,15H,6,9-14,16-17H2,1-4H3.
What are the key properties of 8-[3-(dimethylamino)benzoyl]-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?
8-[3-(dimethylamino)benzoyl]-2-[2-(dimethylamino)ethyl]-2,8-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 8-[3-(dimethylamino)benzoyl]-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70744129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).