4-[1-(2-ethoxyacetyl)piperidine-4-carbonyl]-1-(4-methylphenyl)piperazin-2-one

C21H29N3O4 — CID 70765317

IUPAC4-[1-(2-ethoxyacetyl)piperidine-4-carbonyl]-1-(4-methylphenyl)piperazin-2-one
SMILESCCOCC(=O)N1CCC(C(=O)N2CCN(c3ccc(C)cc3)C(=O)C2)CC1
InChIInChI=1S/C21H29N3O4/c1-3-28-15-20(26)22-10-8-17(9-11-22)21(27)23-12-13-24(19(25)14-23)18-6-4-16(2)5-7-18/h4-7,17H,3,8-15H2,1-2H3
InChIKeyCYGUWWRPHFGJLF-UHFFFAOYSA-N
MW387.48 g/mol
LogP1.45
Rot. Bonds5

About 4-[1-(2-ethoxyacetyl)piperidine-4-carbonyl]-1-(4-methylphenyl)piperazin-2-one

4-[1-(2-ethoxyacetyl)piperidine-4-carbonyl]-1-(4-methylphenyl)piperazin-2-one (PubChem CID 70765317) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is 4-[1-(2-ethoxyacetyl)piperidine-4-carbonyl]-1-(4-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-[1-(2-ethoxyacetyl)piperidine-4-carbonyl]-1-(4-methylphenyl)piperazin-2-one
PubChem CID70765317
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC Name4-[1-(2-ethoxyacetyl)piperidine-4-carbonyl]-1-(4-methylphenyl)piperazin-2-one
SMILESCCOCC(=O)N1CCC(C(=O)N2CCN(c3ccc(C)cc3)C(=O)C2)CC1
InChIInChI=1S/C21H29N3O4/c1-3-28-15-20(26)22-10-8-17(9-11-22)21(27)23-12-13-24(19(25)14-23)18-6-4-16(2)5-7-18/h4-7,17H,3,8-15H2,1-2H3
InChIKeyCYGUWWRPHFGJLF-UHFFFAOYSA-N
XLogP1.45
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-ethoxypropanoyl)-1-(4-methylphenyl)piperazin-2-one
CID 70765820
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-ethoxyethanone
CID 60637524
(6S)-2-methyl-6-[4-(4-methylphenyl)-3-oxopiperazine-1-carbonyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 96578928
4-[2-(4-fluorophenoxy)acetyl]-1-(4-methylphenyl)piperazin-2-one
CID 70780139
1-(4-methylphenyl)-4-(3-pyrrolidin-1-ylpropanoyl)piperazin-2-one
CID 70741232
5-[2-[4-(4-methylphenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione
CID 70736014
1-(4-methylphenyl)-4-(1-methylsulfonylpyrrolidine-2-carbonyl)piperazin-2-one
CID 70778630
4-[(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]-1-(4-methylphenyl)piperazin-2-one
CID 96573246
ethyl 4-[2-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]oxyacetyl]piperazine-1-carboxylate
CID 42970092
N-(3-ethoxypropyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 6497537
4-[2-[(3R)-3-hydroxypiperidin-1-yl]acetyl]-1-(4-methylphenyl)piperazin-2-one
CID 96580689
1-(4-methylphenyl)-4-(4-phenylmethoxybutanoyl)piperazin-2-one
CID 70727058

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-ethoxyacetyl)piperidine-4-carbonyl]-1-(4-methylphenyl)piperazin-2-one?
The IUPAC name of 4-[1-(2-ethoxyacetyl)piperidine-4-carbonyl]-1-(4-methylphenyl)piperazin-2-one (CID 70765317) is 4-[1-(2-ethoxyacetyl)piperidine-4-carbonyl]-1-(4-methylphenyl)piperazin-2-one.
What is the SMILES notation for 4-[1-(2-ethoxyacetyl)piperidine-4-carbonyl]-1-(4-methylphenyl)piperazin-2-one?
The canonical SMILES for 4-[1-(2-ethoxyacetyl)piperidine-4-carbonyl]-1-(4-methylphenyl)piperazin-2-one is CCOCC(=O)N1CCC(C(=O)N2CCN(c3ccc(C)cc3)C(=O)C2)CC1.
What is the InChIKey of 4-[1-(2-ethoxyacetyl)piperidine-4-carbonyl]-1-(4-methylphenyl)piperazin-2-one?
The InChIKey is CYGUWWRPHFGJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4/c1-3-28-15-20(26)22-10-8-17(9-11-22)21(27)23-12-13-24(19(25)14-23)18-6-4-16(2)5-7-18/h4-7,17H,3,8-15H2,1-2H3.
What are the key properties of 4-[1-(2-ethoxyacetyl)piperidine-4-carbonyl]-1-(4-methylphenyl)piperazin-2-one?
4-[1-(2-ethoxyacetyl)piperidine-4-carbonyl]-1-(4-methylphenyl)piperazin-2-one has a molecular weight of 387.48 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-ethoxyacetyl)piperidine-4-carbonyl]-1-(4-methylphenyl)piperazin-2-one is sourced from PubChem (CID 70765317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).