N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]pyrazine-2-carboxamide

C17H18N4O5 — CID 108557370

IUPACN-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
SMILESO=C(NC1CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1)c1cnccn1
InChIInChI=1S/C17H18N4O5/c22-13-7-10(8-14(23)15(13)24)17(26)21-5-1-11(2-6-21)20-16(25)12-9-18-3-4-19-12/h3-4,7-9,11,22-24H,1-2,5-6H2,(H,20,25)
InChIKeyFLLGGDMSHOAQIN-UHFFFAOYSA-N
MW358.35 g/mol
LogP0.63
Rot. Bonds3

About N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]pyrazine-2-carboxamide

N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]pyrazine-2-carboxamide (PubChem CID 108557370) has the molecular formula C17H18N4O5 and a molecular weight of 358.35 g/mol. Its IUPAC name is N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
PubChem CID108557370
Molecular FormulaC17H18N4O5
Molecular Weight358.35 g/mol
Exact Mass358.13
IUPAC NameN-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
SMILESO=C(NC1CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1)c1cnccn1
InChIInChI=1S/C17H18N4O5/c22-13-7-10(8-14(23)15(13)24)17(26)21-5-1-11(2-6-21)20-16(25)12-9-18-3-4-19-12/h3-4,7-9,11,22-24H,1-2,5-6H2,(H,20,25)
InChIKeyFLLGGDMSHOAQIN-UHFFFAOYSA-N
XLogP0.63
TPSA135.88 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 50.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-phenylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 108557355
N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 108557429
2-hydroxy-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 108551435
methyl 4-(pyrazine-2-carbonylamino)piperidine-1-carboxylate
CID 110821817
4-tert-butyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 108554177
N-[1-(naphthalene-1-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 108557405
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 108557881
N-[1-(4-chlorobutanoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 108562614
4-methoxy-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 110821265
3,4,5-triethoxy-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 108550660
2-chloro-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 110821271
2,2-dimethyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]propanamide
CID 110821253

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]pyrazine-2-carboxamide (CID 108557370) is N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]pyrazine-2-carboxamide is O=C(NC1CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1)c1cnccn1.
What is the InChIKey of N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]pyrazine-2-carboxamide?
The InChIKey is FLLGGDMSHOAQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O5/c22-13-7-10(8-14(23)15(13)24)17(26)21-5-1-11(2-6-21)20-16(25)12-9-18-3-4-19-12/h3-4,7-9,11,22-24H,1-2,5-6H2,(H,20,25).
What are the key properties of N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]pyrazine-2-carboxamide?
N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]pyrazine-2-carboxamide has a molecular weight of 358.35 g/mol, XLogP of 0.63, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 108557370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).