5-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]amino]pyrazine-2-carboxylic acid

C19H22N4O5 — CID 122053880

IUPAC5-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]amino]pyrazine-2-carboxylic acid
SMILESCOc1ccc(C(=O)N2CCC(Nc3cnc(C(=O)O)cn3)CC2)cc1OC
InChIInChI=1S/C19H22N4O5/c1-27-15-4-3-12(9-16(15)28-2)18(24)23-7-5-13(6-8-23)22-17-11-20-14(10-21-17)19(25)26/h3-4,9-11,13H,5-8H2,1-2H3,(H,21,22)(H,25,26)
InChIKeySMUBSKHCHGPFFT-UHFFFAOYSA-N
MW386.41 g/mol
LogP1.91
Rot. Bonds6

About 5-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]amino]pyrazine-2-carboxylic acid

5-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]amino]pyrazine-2-carboxylic acid (PubChem CID 122053880) has the molecular formula C19H22N4O5 and a molecular weight of 386.41 g/mol. Its IUPAC name is 5-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]amino]pyrazine-2-carboxylic acid
PubChem CID122053880
Molecular FormulaC19H22N4O5
Molecular Weight386.41 g/mol
Exact Mass386.16
IUPAC Name5-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]amino]pyrazine-2-carboxylic acid
SMILESCOc1ccc(C(=O)N2CCC(Nc3cnc(C(=O)O)cn3)CC2)cc1OC
InChIInChI=1S/C19H22N4O5/c1-27-15-4-3-12(9-16(15)28-2)18(24)23-7-5-13(6-8-23)22-17-11-20-14(10-21-17)19(25)26/h3-4,9-11,13H,5-8H2,1-2H3,(H,21,22)(H,25,26)
InChIKeySMUBSKHCHGPFFT-UHFFFAOYSA-N
XLogP1.91
TPSA113.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(3,4-dimethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818753
[4-[(1-chloroisoquinolin-3-yl)amino]piperidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 133307989
(3,4-dimethoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 110725273
(3,4-dimethoxyphenyl)-[4-(2,5-dimethylanilino)piperidin-1-yl]methanone
CID 3373464
[4-(3-chloro-2-methylanilino)piperidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 3930106
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 1074740
(4-aminophenyl)-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methanone
CID 108934968
2-chloro-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-1H-imidazole-5-carboxamide
CID 155957395
[6-(3,4-dimethoxyanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109152644
(3,4-dimethoxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749717
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 39572485
2-cyclopentyl-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]acetamide
CID 108935675

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]amino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]amino]pyrazine-2-carboxylic acid (CID 122053880) is 5-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]amino]pyrazine-2-carboxylic acid is COc1ccc(C(=O)N2CCC(Nc3cnc(C(=O)O)cn3)CC2)cc1OC.
What is the InChIKey of 5-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]amino]pyrazine-2-carboxylic acid?
The InChIKey is SMUBSKHCHGPFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O5/c1-27-15-4-3-12(9-16(15)28-2)18(24)23-7-5-13(6-8-23)22-17-11-20-14(10-21-17)19(25)26/h3-4,9-11,13H,5-8H2,1-2H3,(H,21,22)(H,25,26).
What are the key properties of 5-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]amino]pyrazine-2-carboxylic acid?
5-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]amino]pyrazine-2-carboxylic acid has a molecular weight of 386.41 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122053880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).