5-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]amino]pyrazine-2-carboxylic acid

C19H22N4O3 — CID 122048849

IUPAC5-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]amino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NCC(=O)N2CCC(Cc3ccccc3)CC2)cn1
InChIInChI=1S/C19H22N4O3/c24-18(13-22-17-12-20-16(11-21-17)19(25)26)23-8-6-15(7-9-23)10-14-4-2-1-3-5-14/h1-5,11-12,15H,6-10,13H2,(H,21,22)(H,25,26)
InChIKeyPIFIYHJRSKCHRM-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.07
Rot. Bonds6

About 5-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]amino]pyrazine-2-carboxylic acid

5-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]amino]pyrazine-2-carboxylic acid (PubChem CID 122048849) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 5-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]amino]pyrazine-2-carboxylic acid
PubChem CID122048849
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name5-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]amino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NCC(=O)N2CCC(Cc3ccccc3)CC2)cn1
InChIInChI=1S/C19H22N4O3/c24-18(13-22-17-12-20-16(11-21-17)19(25)26)23-8-6-15(7-9-23)10-14-4-2-1-3-5-14/h1-5,11-12,15H,6-10,13H2,(H,21,22)(H,25,26)
InChIKeyPIFIYHJRSKCHRM-UHFFFAOYSA-N
XLogP2.07
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-benzylpiperidin-1-yl)-2-[(2,6-dimethylpyrimidin-4-yl)amino]ethanone
CID 133342486
1-(4-benzylpiperidin-1-yl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethanone
CID 133342559
1-(4-benzylpiperidin-1-yl)-2-[[6-(trifluoromethyl)-2-pyridinyl]amino]ethanone
CID 133342535
1-(4-benzylpiperidin-1-yl)-2-(cyclohexylamino)ethanone
CID 108993605
1-(4-benzylpiperidin-1-yl)-2-(quinolin-8-ylamino)ethanone
CID 109006353
1-(4-benzylpiperidin-1-yl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethanone
CID 133342484
1-(4-benzylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108942003
1-(4-benzylpiperidin-1-yl)-2-[(3-nitro-2-pyridinyl)amino]ethanone
CID 133342478
2-amino-N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 60848653
1-(4-benzylpiperidin-1-yl)-2-cyclopentylethanone
CID 127122886
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]ethanesulfonamide
CID 112995482
1-(4-benzylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108942755

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]amino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]amino]pyrazine-2-carboxylic acid (CID 122048849) is 5-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]amino]pyrazine-2-carboxylic acid is O=C(O)c1cnc(NCC(=O)N2CCC(Cc3ccccc3)CC2)cn1.
What is the InChIKey of 5-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]amino]pyrazine-2-carboxylic acid?
The InChIKey is PIFIYHJRSKCHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c24-18(13-22-17-12-20-16(11-21-17)19(25)26)23-8-6-15(7-9-23)10-14-4-2-1-3-5-14/h1-5,11-12,15H,6-10,13H2,(H,21,22)(H,25,26).
What are the key properties of 5-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]amino]pyrazine-2-carboxylic acid?
5-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]amino]pyrazine-2-carboxylic acid has a molecular weight of 354.41 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122048849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).