5-[2-(benzamidomethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid

C19H20N4O4 — CID 120690266

IUPAC5-[2-(benzamidomethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid
SMILESO=C(NCC1CCCCN1C(=O)c1cnc(C(=O)O)cn1)c1ccccc1
InChIInChI=1S/C19H20N4O4/c24-17(13-6-2-1-3-7-13)22-10-14-8-4-5-9-23(14)18(25)15-11-21-16(12-20-15)19(26)27/h1-3,6-7,11-12,14H,4-5,8-10H2,(H,22,24)(H,26,27)
InChIKeyBXXIQPSPRCAEOI-UHFFFAOYSA-N
MW368.39 g/mol
LogP1.60
Rot. Bonds5

About 5-[2-(benzamidomethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid

5-[2-(benzamidomethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid (PubChem CID 120690266) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 5-[2-(benzamidomethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(benzamidomethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid
PubChem CID120690266
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name5-[2-(benzamidomethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid
SMILESO=C(NCC1CCCCN1C(=O)c1cnc(C(=O)O)cn1)c1ccccc1
InChIInChI=1S/C19H20N4O4/c24-17(13-6-2-1-3-7-13)22-10-14-8-4-5-9-23(14)18(25)15-11-21-16(12-20-15)19(26)27/h1-3,6-7,11-12,14H,4-5,8-10H2,(H,22,24)(H,26,27)
InChIKeyBXXIQPSPRCAEOI-UHFFFAOYSA-N
XLogP1.60
TPSA112.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(3-aminocyclopentanecarbonyl)piperidin-2-yl]methyl]benzamide
CID 119766246
N-[[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-2-yl]methyl]benzamide
CID 120791374
N-[[1-(4-aminobutanoyl)piperidin-2-yl]methyl]benzamide;hydrochloride
CID 119313514
N-[[(2S)-1-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptane-2-carbonyl]piperidin-2-yl]methyl]benzamide
CID 124742100
(2-ethylpiperidin-1-yl)-[5-(N-methylanilino)pyrazin-2-yl]methanone
CID 109288501
N-[[1-(3-amino-3-phenylpropanoyl)piperidin-2-yl]methyl]benzamide;hydrochloride
CID 119951018
[2-(methylaminomethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone
CID 103807625
methyl 2-[1-(5-methylpyrazine-2-carbonyl)piperidin-2-yl]acetate
CID 61009273
(2-benzylpyrrolidin-1-yl)-(5-methylpyrazin-2-yl)methanone
CID 42940211
N-[[1-(3-chloro-5-nitro-2-pyridinyl)piperidin-2-yl]methyl]benzamide
CID 133342411
(5-bromo-2-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 63249413
(5-aminopyrazin-2-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 107375180

Frequently Asked Questions

What is the IUPAC name of 5-[2-(benzamidomethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[2-(benzamidomethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid (CID 120690266) is 5-[2-(benzamidomethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[2-(benzamidomethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[2-(benzamidomethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid is O=C(NCC1CCCCN1C(=O)c1cnc(C(=O)O)cn1)c1ccccc1.
What is the InChIKey of 5-[2-(benzamidomethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid?
The InChIKey is BXXIQPSPRCAEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c24-17(13-6-2-1-3-7-13)22-10-14-8-4-5-9-23(14)18(25)15-11-21-16(12-20-15)19(26)27/h1-3,6-7,11-12,14H,4-5,8-10H2,(H,22,24)(H,26,27).
What are the key properties of 5-[2-(benzamidomethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid?
5-[2-(benzamidomethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid has a molecular weight of 368.39 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(benzamidomethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 120690266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).