2-(3-methoxyphenyl)-2-(2-methylpiperazin-1-yl)-N,N-dipropylacetamide

C20H33N3O2 — CID 112539363

IUPAC2-(3-methoxyphenyl)-2-(2-methylpiperazin-1-yl)-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)C(c1cccc(OC)c1)N1CCNCC1C
InChIInChI=1S/C20H33N3O2/c1-5-11-22(12-6-2)20(24)19(23-13-10-21-15-16(23)3)17-8-7-9-18(14-17)25-4/h7-9,14,16,19,21H,5-6,10-13,15H2,1-4H3
InChIKeyZTYCQTKESLYUEY-UHFFFAOYSA-N
MW347.50 g/mol
LogP2.68
Rot. Bonds8

About 2-(3-methoxyphenyl)-2-(2-methylpiperazin-1-yl)-N,N-dipropylacetamide

2-(3-methoxyphenyl)-2-(2-methylpiperazin-1-yl)-N,N-dipropylacetamide (PubChem CID 112539363) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-2-(2-methylpiperazin-1-yl)-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-2-(2-methylpiperazin-1-yl)-N,N-dipropylacetamide
PubChem CID112539363
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name2-(3-methoxyphenyl)-2-(2-methylpiperazin-1-yl)-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)C(c1cccc(OC)c1)N1CCNCC1C
InChIInChI=1S/C20H33N3O2/c1-5-11-22(12-6-2)20(24)19(23-13-10-21-15-16(23)3)17-8-7-9-18(14-17)25-4/h7-9,14,16,19,21H,5-6,10-13,15H2,1-4H3
InChIKeyZTYCQTKESLYUEY-UHFFFAOYSA-N
XLogP2.68
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyphenyl)-N,N-dimethyl-2-(2-methylpiperazin-1-yl)acetamide
CID 83978037
2-(4-ethylphenyl)-2-(2-methylpiperazin-1-yl)-N,N-dipropylacetamide
CID 112539569
2-(3-methoxyphenyl)-2-(2-methylpiperazin-1-yl)-1-piperidin-1-ylethanone
CID 83978057
1-(4-hydroxypiperidin-1-yl)-2-(3-methoxyphenyl)-2-(2-methylpiperazin-1-yl)ethanone
CID 112539372
1-(3-methoxyphenyl)-2-[(2S)-2-methylpiperazin-1-yl]ethanol
CID 82755808
2-(4-ethylphenyl)-N,N-dimethyl-2-(2-methylpiperazin-1-yl)acetamide
CID 83978474
1-[1-(3-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethyl]-2-methylpiperazine
CID 83978094
(3-methoxyphenyl)-(2-methylpiperazin-1-yl)methanone
CID 51000391
2-(2-methylpiperazin-1-yl)-2-(3-phenoxyphenyl)ethanol
CID 83978303
2-(2,5-dimethoxyphenyl)-2-(2-methylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 112539846
2-(2,6-dimethylpiperazin-1-yl)-1-(3-methoxyphenyl)ethanol
CID 81133921
1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperazine-2-carboxamide
CID 81133473

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-2-(2-methylpiperazin-1-yl)-N,N-dipropylacetamide?
The IUPAC name of 2-(3-methoxyphenyl)-2-(2-methylpiperazin-1-yl)-N,N-dipropylacetamide (CID 112539363) is 2-(3-methoxyphenyl)-2-(2-methylpiperazin-1-yl)-N,N-dipropylacetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-2-(2-methylpiperazin-1-yl)-N,N-dipropylacetamide?
The canonical SMILES for 2-(3-methoxyphenyl)-2-(2-methylpiperazin-1-yl)-N,N-dipropylacetamide is CCCN(CCC)C(=O)C(c1cccc(OC)c1)N1CCNCC1C.
What is the InChIKey of 2-(3-methoxyphenyl)-2-(2-methylpiperazin-1-yl)-N,N-dipropylacetamide?
The InChIKey is ZTYCQTKESLYUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-5-11-22(12-6-2)20(24)19(23-13-10-21-15-16(23)3)17-8-7-9-18(14-17)25-4/h7-9,14,16,19,21H,5-6,10-13,15H2,1-4H3.
What are the key properties of 2-(3-methoxyphenyl)-2-(2-methylpiperazin-1-yl)-N,N-dipropylacetamide?
2-(3-methoxyphenyl)-2-(2-methylpiperazin-1-yl)-N,N-dipropylacetamide has a molecular weight of 347.50 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-2-(2-methylpiperazin-1-yl)-N,N-dipropylacetamide is sourced from PubChem (CID 112539363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).