methyl 4-[4-(dimethylamino)benzoyl]-1-(2-methoxyacetyl)piperazine-2-carboxylate

C18H25N3O5 — CID 78441950

IUPACmethyl 4-[4-(dimethylamino)benzoyl]-1-(2-methoxyacetyl)piperazine-2-carboxylate
SMILESCOCC(=O)N1CCN(C(=O)c2ccc(N(C)C)cc2)CC1C(=O)OC
InChIInChI=1S/C18H25N3O5/c1-19(2)14-7-5-13(6-8-14)17(23)20-9-10-21(16(22)12-25-3)15(11-20)18(24)26-4/h5-8,15H,9-12H2,1-4H3
InChIKeyZERCMMNMEQHTKQ-UHFFFAOYSA-N
MW363.41 g/mol
LogP0.22
Rot. Bonds5

About methyl 4-[4-(dimethylamino)benzoyl]-1-(2-methoxyacetyl)piperazine-2-carboxylate

methyl 4-[4-(dimethylamino)benzoyl]-1-(2-methoxyacetyl)piperazine-2-carboxylate (PubChem CID 78441950) has the molecular formula C18H25N3O5 and a molecular weight of 363.41 g/mol. Its IUPAC name is methyl 4-[4-(dimethylamino)benzoyl]-1-(2-methoxyacetyl)piperazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[4-(dimethylamino)benzoyl]-1-(2-methoxyacetyl)piperazine-2-carboxylate
PubChem CID78441950
Molecular FormulaC18H25N3O5
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC Namemethyl 4-[4-(dimethylamino)benzoyl]-1-(2-methoxyacetyl)piperazine-2-carboxylate
SMILESCOCC(=O)N1CCN(C(=O)c2ccc(N(C)C)cc2)CC1C(=O)OC
InChIInChI=1S/C18H25N3O5/c1-19(2)14-7-5-13(6-8-14)17(23)20-9-10-21(16(22)12-25-3)15(11-20)18(24)26-4/h5-8,15H,9-12H2,1-4H3
InChIKeyZERCMMNMEQHTKQ-UHFFFAOYSA-N
XLogP0.22
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(1H-benzimidazol-2-yl)-4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-2-methoxyethanone
CID 44783510
(2S)-1-[4-(dimethylamino)benzoyl]-4-(2-methoxyacetyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 11911666
[4-(dimethylamino)phenyl]-[(3S)-3-methylpyrrolidin-1-yl]methanone
CID 143704311
[4-(dimethylamino)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261919
methyl 4-benzoyl-1-(cyclopentanecarbonyl)piperazine-2-carboxylate
CID 44783658
ethyl 4-[4-(dimethylamino)benzoyl]piperazine-1-carboxylate
CID 35508651
(3-chloropiperidin-1-yl)-[4-(dimethylamino)phenyl]methanone
CID 63393268
[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 32770513
(2S)-1-(2-methoxyacetyl)-4-(4-methoxybenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 163097256
[(3R)-3-aminopiperidin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 102983493
methyl 4-(4-fluorobenzoyl)-1-(pyridine-3-carbonyl)piperazine-2-carboxylate
CID 44783641
methyl 4-(4-methoxybenzoyl)-1-(pyridine-3-carbonyl)piperazine-2-carboxylate
CID 78454993

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-(dimethylamino)benzoyl]-1-(2-methoxyacetyl)piperazine-2-carboxylate?
The IUPAC name of methyl 4-[4-(dimethylamino)benzoyl]-1-(2-methoxyacetyl)piperazine-2-carboxylate (CID 78441950) is methyl 4-[4-(dimethylamino)benzoyl]-1-(2-methoxyacetyl)piperazine-2-carboxylate.
What is the SMILES notation for methyl 4-[4-(dimethylamino)benzoyl]-1-(2-methoxyacetyl)piperazine-2-carboxylate?
The canonical SMILES for methyl 4-[4-(dimethylamino)benzoyl]-1-(2-methoxyacetyl)piperazine-2-carboxylate is COCC(=O)N1CCN(C(=O)c2ccc(N(C)C)cc2)CC1C(=O)OC.
What is the InChIKey of methyl 4-[4-(dimethylamino)benzoyl]-1-(2-methoxyacetyl)piperazine-2-carboxylate?
The InChIKey is ZERCMMNMEQHTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O5/c1-19(2)14-7-5-13(6-8-14)17(23)20-9-10-21(16(22)12-25-3)15(11-20)18(24)26-4/h5-8,15H,9-12H2,1-4H3.
What are the key properties of methyl 4-[4-(dimethylamino)benzoyl]-1-(2-methoxyacetyl)piperazine-2-carboxylate?
methyl 4-[4-(dimethylamino)benzoyl]-1-(2-methoxyacetyl)piperazine-2-carboxylate has a molecular weight of 363.41 g/mol, XLogP of 0.22, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-(dimethylamino)benzoyl]-1-(2-methoxyacetyl)piperazine-2-carboxylate is sourced from PubChem (CID 78441950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).