4-[2-(2-methoxy-4,5-dimethylphenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide

C19H29N3O3 — CID 110812984

IUPAC4-[2-(2-methoxy-4,5-dimethylphenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide
SMILESCOc1cc(C)c(C)cc1CC(=O)N1CCN(C(=O)NC(C)C)CC1
InChIInChI=1S/C19H29N3O3/c1-13(2)20-19(24)22-8-6-21(7-9-22)18(23)12-16-10-14(3)15(4)11-17(16)25-5/h10-11,13H,6-9,12H2,1-5H3,(H,20,24)
InChIKeyNCWPYGAYYBBSPW-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.12
Rot. Bonds4

About 4-[2-(2-methoxy-4,5-dimethylphenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide

4-[2-(2-methoxy-4,5-dimethylphenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide (PubChem CID 110812984) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 4-[2-(2-methoxy-4,5-dimethylphenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(2-methoxy-4,5-dimethylphenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide
PubChem CID110812984
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name4-[2-(2-methoxy-4,5-dimethylphenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide
SMILESCOc1cc(C)c(C)cc1CC(=O)N1CCN(C(=O)NC(C)C)CC1
InChIInChI=1S/C19H29N3O3/c1-13(2)20-19(24)22-8-6-21(7-9-22)18(23)12-16-10-14(3)15(4)11-17(16)25-5/h10-11,13H,6-9,12H2,1-5H3,(H,20,24)
InChIKeyNCWPYGAYYBBSPW-UHFFFAOYSA-N
XLogP2.12
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(3,4-dimethoxyphenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 110812118
ethyl 4-[2-(2-methoxy-4,5-dimethylphenyl)acetyl]-1,4-diazepane-1-carboxylate
CID 110809096
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-(2-methoxy-4,5-dimethylphenyl)ethanone
CID 110803874
1-[2-(2-methoxy-4,5-dimethylphenyl)acetyl]piperidin-4-one
CID 98019302
1-(4-ethylsulfonylpiperazin-1-yl)-2-(2-methoxy-4,5-dimethylphenyl)ethanone
CID 110804747
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(2-methoxy-4,5-dimethylphenyl)ethanone
CID 110800533
4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 110813181
4-(5-chloro-2-methoxy-4-methylbenzoyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 110812493
1-(4-acetylpiperazin-1-yl)-2-(5-chloro-2-methoxy-4-methylphenyl)ethanone
CID 110768671
1-[4-[2-(4,5-dimethoxy-2-methylphenyl)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 110805906
4-[2-(2-chlorophenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 47079935
1-[4-[2-(4-methoxy-2,5-dimethylphenyl)acetyl]-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 110807420

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxy-4,5-dimethylphenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-(2-methoxy-4,5-dimethylphenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide (CID 110812984) is 4-[2-(2-methoxy-4,5-dimethylphenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(2-methoxy-4,5-dimethylphenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-(2-methoxy-4,5-dimethylphenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide is COc1cc(C)c(C)cc1CC(=O)N1CCN(C(=O)NC(C)C)CC1.
What is the InChIKey of 4-[2-(2-methoxy-4,5-dimethylphenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is NCWPYGAYYBBSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-13(2)20-19(24)22-8-6-21(7-9-22)18(23)12-16-10-14(3)15(4)11-17(16)25-5/h10-11,13H,6-9,12H2,1-5H3,(H,20,24).
What are the key properties of 4-[2-(2-methoxy-4,5-dimethylphenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide?
4-[2-(2-methoxy-4,5-dimethylphenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxy-4,5-dimethylphenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 110812984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).