2-[4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide

C24H31N3O5 — CID 3241777

IUPAC2-[4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CN2CCN(CC(=O)c3ccc(OC)c(OC)c3)CC2)cc1
InChIInChI=1S/C24H31N3O5/c1-4-32-20-8-6-19(7-9-20)25-24(29)17-27-13-11-26(12-14-27)16-21(28)18-5-10-22(30-2)23(15-18)31-3/h5-10,15H,4,11-14,16-17H2,1-3H3,(H,25,29)
InChIKeyMONFQIMOODLDQU-UHFFFAOYSA-N
MW441.53 g/mol
LogP2.54
Rot. Bonds10

About 2-[4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide

2-[4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide (PubChem CID 3241777) has the molecular formula C24H31N3O5 and a molecular weight of 441.53 g/mol. Its IUPAC name is 2-[4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
PubChem CID3241777
Molecular FormulaC24H31N3O5
Molecular Weight441.53 g/mol
Exact Mass441.23
IUPAC Name2-[4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CN2CCN(CC(=O)c3ccc(OC)c(OC)c3)CC2)cc1
InChIInChI=1S/C24H31N3O5/c1-4-32-20-8-6-19(7-9-20)25-24(29)17-27-13-11-26(12-14-27)16-21(28)18-5-10-22(30-2)23(15-18)31-3/h5-10,15H,4,11-14,16-17H2,1-3H3,(H,25,29)
InChIKeyMONFQIMOODLDQU-UHFFFAOYSA-N
XLogP2.54
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Vesnarinone
CID 5663
Ecabapide
CID 65885
1-(4-(4-(Benzo[d][1,3]dioxole-5-carbonyl)piperazin-1-yl)phenyl)ethanone
CID 1245700
Cid_4076092
CID 4076092
3-Methoxy-O-demethylencainide
CID 54737
Ethyl 2-[2-[2-(4-methoxyanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxypropanoate
CID 4131581
4-methoxy-N-[4-(4-methyl-1-piperazinyl)phenyl]benzamide
CID 3154679
3-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-1-(4-methoxyphenyl)-1-propanone
CID 766936
2,3-Dihydro-N-methyl-N-[2-oxo-2-[(2,3,4-trifluorophenyl)amino]ethyl]-1,4-benzodioxin-6-carboxamide
CID 8001903
(2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-phenoxyphenyl)formamido]propanamide
CID 23648336
(2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(4-phenoxyphenyl)formamido]propanamide
CID 23648337
N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-ethoxybenzamide
CID 739217

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-[4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide (CID 3241777) is 2-[4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)CN2CCN(CC(=O)c3ccc(OC)c(OC)c3)CC2)cc1.
What is the InChIKey of 2-[4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide?
The InChIKey is MONFQIMOODLDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O5/c1-4-32-20-8-6-19(7-9-20)25-24(29)17-27-13-11-26(12-14-27)16-21(28)18-5-10-22(30-2)23(15-18)31-3/h5-10,15H,4,11-14,16-17H2,1-3H3,(H,25,29).
What are the key properties of 2-[4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide?
2-[4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide has a molecular weight of 441.53 g/mol, XLogP of 2.54, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 3241777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).