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

C18H18N4O4 — CID 108557429

IUPACN-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccc3c(c2)OCO3)CC1)c1cnccn1
InChIInChI=1S/C18H18N4O4/c23-17(14-10-19-5-6-20-14)21-13-3-7-22(8-4-13)18(24)12-1-2-15-16(9-12)26-11-25-15/h1-2,5-6,9-10,13H,3-4,7-8,11H2,(H,21,23)
InChIKeyJGPYSHKMASFRNV-UHFFFAOYSA-N
MW354.37 g/mol
LogP1.24
Rot. Bonds3

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

N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide (PubChem CID 108557429) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide
PubChem CID108557429
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC NameN-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccc3c(c2)OCO3)CC1)c1cnccn1
InChIInChI=1S/C18H18N4O4/c23-17(14-10-19-5-6-20-14)21-13-3-7-22(8-4-13)18(24)12-1-2-15-16(9-12)26-11-25-15/h1-2,5-6,9-10,13H,3-4,7-8,11H2,(H,21,23)
InChIKeyJGPYSHKMASFRNV-UHFFFAOYSA-N
XLogP1.24
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-benzodioxol-5-yl-[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110816082
N'-(1,3-benzodioxole-5-carbonyl)pyrazine-2-carbohydrazide
CID 17388270
N-[1-(4-phenylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 108557355
N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 108557370
N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
CID 108557334
methyl N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]carbamate
CID 110821565
N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2,2-dichloroacetamide
CID 108566835
N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-4-ethoxybenzamide
CID 108551927
N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 110821561
N-[5-(1,3-benzodioxole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
CID 90527396
2,3-dihydro-1,4-benzodioxin-6-yl-[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110816095
N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-ethylbutanamide
CID 110821563

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide (CID 108557429) is N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide is O=C(NC1CCN(C(=O)c2ccc3c(c2)OCO3)CC1)c1cnccn1.
What is the InChIKey of N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide?
The InChIKey is JGPYSHKMASFRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4/c23-17(14-10-19-5-6-20-14)21-13-3-7-22(8-4-13)18(24)12-1-2-15-16(9-12)26-11-25-15/h1-2,5-6,9-10,13H,3-4,7-8,11H2,(H,21,23).
What are the key properties of N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide?
N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide has a molecular weight of 354.37 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 108557429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).