3-[2-(dimethylamino)ethyl]-8-(4-thiophen-2-ylbutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C19H29N3O3S — CID 70760637

IUPAC3-[2-(dimethylamino)ethyl]-8-(4-thiophen-2-ylbutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN(C)CCN1CC2(CCN(C(=O)CCCc3cccs3)CC2)OC1=O
InChIInChI=1S/C19H29N3O3S/c1-20(2)12-13-22-15-19(25-18(22)24)8-10-21(11-9-19)17(23)7-3-5-16-6-4-14-26-16/h4,6,14H,3,5,7-13,15H2,1-2H3
InChIKeyDRUBSWKOCPCPSP-UHFFFAOYSA-N
MW379.53 g/mol
LogP2.45
Rot. Bonds7

About 3-[2-(dimethylamino)ethyl]-8-(4-thiophen-2-ylbutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-[2-(dimethylamino)ethyl]-8-(4-thiophen-2-ylbutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70760637) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-8-(4-thiophen-2-ylbutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-8-(4-thiophen-2-ylbutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70760637
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC Name3-[2-(dimethylamino)ethyl]-8-(4-thiophen-2-ylbutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN(C)CCN1CC2(CCN(C(=O)CCCc3cccs3)CC2)OC1=O
InChIInChI=1S/C19H29N3O3S/c1-20(2)12-13-22-15-19(25-18(22)24)8-10-21(11-9-19)17(23)7-3-5-16-6-4-14-26-16/h4,6,14H,3,5,7-13,15H2,1-2H3
InChIKeyDRUBSWKOCPCPSP-UHFFFAOYSA-N
XLogP2.45
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[2-(dimethylamino)ethyl]-8-(4-thiophen-2-ylbutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-5-thiophen-2-ylpentan-1-one
CID 110420377
1-(4-hydroxy-4-methylpiperidin-1-yl)-4-thiophen-2-ylbutan-1-one
CID 80706917
4-ethyl-1-(4-thiophen-2-ylbutanoyl)piperidine-4-carboxylic acid
CID 63124753
3-methyl-1-(4-thiophen-2-ylbutanoyl)pyrrolidine-3-carboxylic acid
CID 63146335
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 120807749
1-[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 72849026
3-[2-(dimethylamino)ethyl]-8-[(E)-3-phenylprop-2-enyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70776070
3-[2-(dimethylamino)ethyl]-8-(5-propyl-1,2-oxazole-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70715851
1-[4-[3-(diethylamino)propanoyl]piperazin-1-yl]-5-thiophen-2-ylpentan-1-one
CID 110617956
3-methyl-2-oxo-N-(2-thiophen-2-ylethyl)-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
CID 119071596
3-[2-[cyclohexyl(methyl)amino]ethyl]-8-(2-ethoxyacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70745840
8-(3-aminopropanoyl)-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70764099

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-8-(4-thiophen-2-ylbutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-8-(4-thiophen-2-ylbutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70760637) is 3-[2-(dimethylamino)ethyl]-8-(4-thiophen-2-ylbutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-8-(4-thiophen-2-ylbutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-8-(4-thiophen-2-ylbutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CN(C)CCN1CC2(CCN(C(=O)CCCc3cccs3)CC2)OC1=O.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-8-(4-thiophen-2-ylbutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is DRUBSWKOCPCPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-20(2)12-13-22-15-19(25-18(22)24)8-10-21(11-9-19)17(23)7-3-5-16-6-4-14-26-16/h4,6,14H,3,5,7-13,15H2,1-2H3.
What are the key properties of 3-[2-(dimethylamino)ethyl]-8-(4-thiophen-2-ylbutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-[2-(dimethylamino)ethyl]-8-(4-thiophen-2-ylbutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 379.53 g/mol, XLogP of 2.45, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-8-(4-thiophen-2-ylbutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70760637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).