4-[2-(3,4-dimethoxyphenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide

C18H27N3O4 — CID 110812118

IUPAC4-[2-(3,4-dimethoxyphenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide
SMILESCOc1ccc(CC(=O)N2CCN(C(=O)NC(C)C)CC2)cc1OC
InChIInChI=1S/C18H27N3O4/c1-13(2)19-18(23)21-9-7-20(8-10-21)17(22)12-14-5-6-15(24-3)16(11-14)25-4/h5-6,11,13H,7-10,12H2,1-4H3,(H,19,23)
InChIKeyJAUZBOBWIIGXEQ-UHFFFAOYSA-N
MW349.43 g/mol
LogP1.51
Rot. Bonds5

About 4-[2-(3,4-dimethoxyphenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide

4-[2-(3,4-dimethoxyphenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide (PubChem CID 110812118) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-[2-(3,4-dimethoxyphenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(3,4-dimethoxyphenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide
PubChem CID110812118
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name4-[2-(3,4-dimethoxyphenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide
SMILESCOc1ccc(CC(=O)N2CCN(C(=O)NC(C)C)CC2)cc1OC
InChIInChI=1S/C18H27N3O4/c1-13(2)19-18(23)21-9-7-20(8-10-21)17(22)12-14-5-6-15(24-3)16(11-14)25-4/h5-6,11,13H,7-10,12H2,1-4H3,(H,19,23)
InChIKeyJAUZBOBWIIGXEQ-UHFFFAOYSA-N
XLogP1.51
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(3,4-dimethoxyphenyl)ethyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 113074544
2-(3,4-dimethoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone chloride
CID 53346891
4-[2-(2-methoxy-4,5-dimethylphenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 110812984
1-[4-[2-(3,4-dimethoxyphenyl)acetyl]-1,4-diazepan-1-yl]butan-1-one
CID 110805950
1-[4-[2-(3,4-dimethoxyphenyl)acetyl]-1,4-diazepan-1-yl]-2-(4-fluorophenyl)ethanone
CID 108544494
ethyl 4-[2-(3,4-dimethoxyphenyl)acetyl]-1,4-diazepane-1-carboxylate
CID 110808927
1-[4-[2-(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl]pentan-1-one
CID 110365843
N-propan-2-yl-4-[2-(4-propan-2-yloxyphenyl)acetyl]piperazine-1-carboxamide
CID 110813014
1-[4-[2-(3,4-dimethoxyphenyl)acetyl]-1,4-diazepan-1-yl]pentan-1-one
CID 110806647
4-chloro-1-[4-[2-(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl]butan-1-one
CID 108570291
N-butan-2-yl-4-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide
CID 113104320
4-[2-(4-chlorophenyl)acetyl]-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110811573

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-dimethoxyphenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-(3,4-dimethoxyphenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide (CID 110812118) is 4-[2-(3,4-dimethoxyphenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(3,4-dimethoxyphenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-(3,4-dimethoxyphenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide is COc1ccc(CC(=O)N2CCN(C(=O)NC(C)C)CC2)cc1OC.
What is the InChIKey of 4-[2-(3,4-dimethoxyphenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is JAUZBOBWIIGXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-13(2)19-18(23)21-9-7-20(8-10-21)17(22)12-14-5-6-15(24-3)16(11-14)25-4/h5-6,11,13H,7-10,12H2,1-4H3,(H,19,23).
What are the key properties of 4-[2-(3,4-dimethoxyphenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide?
4-[2-(3,4-dimethoxyphenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-dimethoxyphenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 110812118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).