5-[(1-benzylpiperidin-2-yl)methylamino]pyrazine-2-carboxylic acid

C18H22N4O2 — CID 122047934

IUPAC5-[(1-benzylpiperidin-2-yl)methylamino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NCC2CCCCN2Cc2ccccc2)cn1
InChIInChI=1S/C18H22N4O2/c23-18(24)16-11-21-17(12-19-16)20-10-15-8-4-5-9-22(15)13-14-6-2-1-3-7-14/h1-3,6-7,11-12,15H,4-5,8-10,13H2,(H,20,21)(H,23,24)
InChIKeyQJSJKNARTFAEBB-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.64
Rot. Bonds6

About 5-[(1-benzylpiperidin-2-yl)methylamino]pyrazine-2-carboxylic acid

5-[(1-benzylpiperidin-2-yl)methylamino]pyrazine-2-carboxylic acid (PubChem CID 122047934) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 5-[(1-benzylpiperidin-2-yl)methylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(1-benzylpiperidin-2-yl)methylamino]pyrazine-2-carboxylic acid
PubChem CID122047934
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name5-[(1-benzylpiperidin-2-yl)methylamino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NCC2CCCCN2Cc2ccccc2)cn1
InChIInChI=1S/C18H22N4O2/c23-18(24)16-11-21-17(12-19-16)20-10-15-8-4-5-9-22(15)13-14-6-2-1-3-7-14/h1-3,6-7,11-12,15H,4-5,8-10,13H2,(H,20,21)(H,23,24)
InChIKeyQJSJKNARTFAEBB-UHFFFAOYSA-N
XLogP2.64
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[1-[(3-chlorophenyl)methyl]piperidin-2-yl]methylamino]pyrazine-2-carboxylic acid
CID 122053736
methyl 5-[(1-ethylpiperidin-2-yl)methylamino]pyrazine-2-carboxylate
CID 126806914
(1-benzylpiperidin-2-yl)methylhydrazine
CID 53402111
[1-[6-[(1-benzylpiperidin-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133299300
N-[(1-benzylpiperidin-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 133274813
1-[(1-benzylpiperidin-2-yl)methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 86856600
N-[(1-benzylpiperidin-2-yl)methyl]-2-ethylbutanamide
CID 60595063
6-[(1-benzylpyrrolidin-2-yl)methylamino]pyridine-2-carbonitrile
CID 133304440
N-[(1-benzylpiperidin-2-yl)methyl]piperidine-3-carboxamide
CID 119861716
N-[(1-benzylpyrrolidin-2-yl)methyl]-1-hydroxycyclopentane-1-carboxamide
CID 111336713
1-[(1-benzylpiperidin-2-yl)methyl]-2,3-dimethylguanidine
CID 110920426
5-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]amino]pyrazine-2-carboxylic acid
CID 122048849

Frequently Asked Questions

What is the IUPAC name of 5-[(1-benzylpiperidin-2-yl)methylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[(1-benzylpiperidin-2-yl)methylamino]pyrazine-2-carboxylic acid (CID 122047934) is 5-[(1-benzylpiperidin-2-yl)methylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[(1-benzylpiperidin-2-yl)methylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[(1-benzylpiperidin-2-yl)methylamino]pyrazine-2-carboxylic acid is O=C(O)c1cnc(NCC2CCCCN2Cc2ccccc2)cn1.
What is the InChIKey of 5-[(1-benzylpiperidin-2-yl)methylamino]pyrazine-2-carboxylic acid?
The InChIKey is QJSJKNARTFAEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c23-18(24)16-11-21-17(12-19-16)20-10-15-8-4-5-9-22(15)13-14-6-2-1-3-7-14/h1-3,6-7,11-12,15H,4-5,8-10,13H2,(H,20,21)(H,23,24).
What are the key properties of 5-[(1-benzylpiperidin-2-yl)methylamino]pyrazine-2-carboxylic acid?
5-[(1-benzylpiperidin-2-yl)methylamino]pyrazine-2-carboxylic acid has a molecular weight of 326.40 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-benzylpiperidin-2-yl)methylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122047934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).