6-[(3R)-3-(1,3-benzodioxole-5-carbonyl)piperidin-1-yl]pyrazine-2-carboxamide

C18H18N4O4 — CID 95559675

IUPAC6-[(3R)-3-(1,3-benzodioxole-5-carbonyl)piperidin-1-yl]pyrazine-2-carboxamide
SMILESNC(=O)c1cncc(N2CCC[C@@H](C(=O)c3ccc4c(c3)OCO4)C2)n1
InChIInChI=1S/C18H18N4O4/c19-18(24)13-7-20-8-16(21-13)22-5-1-2-12(9-22)17(23)11-3-4-14-15(6-11)26-10-25-14/h3-4,6-8,12H,1-2,5,9-10H2,(H2,19,24)/t12-/m1/s1
InChIKeyQWYNJOCCWOHDLU-GFCCVEGCSA-N
MW354.37 g/mol
LogP1.40
Rot. Bonds4

About 6-[(3R)-3-(1,3-benzodioxole-5-carbonyl)piperidin-1-yl]pyrazine-2-carboxamide

6-[(3R)-3-(1,3-benzodioxole-5-carbonyl)piperidin-1-yl]pyrazine-2-carboxamide (PubChem CID 95559675) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is 6-[(3R)-3-(1,3-benzodioxole-5-carbonyl)piperidin-1-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[(3R)-3-(1,3-benzodioxole-5-carbonyl)piperidin-1-yl]pyrazine-2-carboxamide
PubChem CID95559675
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC Name6-[(3R)-3-(1,3-benzodioxole-5-carbonyl)piperidin-1-yl]pyrazine-2-carboxamide
SMILESNC(=O)c1cncc(N2CCC[C@@H](C(=O)c3ccc4c(c3)OCO4)C2)n1
InChIInChI=1S/C18H18N4O4/c19-18(24)13-7-20-8-16(21-13)22-5-1-2-12(9-22)17(23)11-3-4-14-15(6-11)26-10-25-14/h3-4,6-8,12H,1-2,5,9-10H2,(H2,19,24)/t12-/m1/s1
InChIKeyQWYNJOCCWOHDLU-GFCCVEGCSA-N
XLogP1.40
TPSA107.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[(3R)-3-(naphthalene-2-carbonyl)piperidin-1-yl]pyrazine-2-carboxamide
CID 95524992
6-[(3S)-3-(3-fluoro-4-methoxybenzoyl)piperidin-1-yl]pyrazine-2-carboxamide
CID 95550702
1,3-benzodioxol-5-yl-[1-(isoquinolin-5-ylmethyl)piperidin-3-yl]methanone
CID 45248662
methyl 4-[(3R)-3-(1,3-benzodioxole-5-carbonyl)piperidin-1-yl]-4-oxobutanoate
CID 42193338
1,3-benzodioxol-5-yl-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]methanone
CID 24792971
1-(1,3-benzodioxol-5-yl)piperidine-3-carboxylic acid
CID 82537821
(3R)-N-(4-acetylphenyl)-3-(1,3-benzodioxole-5-carbonyl)piperidine-1-carboxamide
CID 42147863
1,3-benzodioxol-5-yl-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methanone
CID 45187766
1,3-benzodioxol-5-yl-[(3R)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]methanone
CID 26391983
1,3-benzodioxol-5-yl-[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-yl]methanone
CID 45210836
(3,4-dimethoxyphenyl)-[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methanone
CID 95556864
2-[(3S)-3-(3,4-dimethoxybenzoyl)piperidin-1-yl]-1,3-thiazole-4-carboxamide
CID 95551992

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-(1,3-benzodioxole-5-carbonyl)piperidin-1-yl]pyrazine-2-carboxamide?
The IUPAC name of 6-[(3R)-3-(1,3-benzodioxole-5-carbonyl)piperidin-1-yl]pyrazine-2-carboxamide (CID 95559675) is 6-[(3R)-3-(1,3-benzodioxole-5-carbonyl)piperidin-1-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-[(3R)-3-(1,3-benzodioxole-5-carbonyl)piperidin-1-yl]pyrazine-2-carboxamide?
The canonical SMILES for 6-[(3R)-3-(1,3-benzodioxole-5-carbonyl)piperidin-1-yl]pyrazine-2-carboxamide is NC(=O)c1cncc(N2CCC[C@@H](C(=O)c3ccc4c(c3)OCO4)C2)n1.
What is the InChIKey of 6-[(3R)-3-(1,3-benzodioxole-5-carbonyl)piperidin-1-yl]pyrazine-2-carboxamide?
The InChIKey is QWYNJOCCWOHDLU-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H18N4O4/c19-18(24)13-7-20-8-16(21-13)22-5-1-2-12(9-22)17(23)11-3-4-14-15(6-11)26-10-25-14/h3-4,6-8,12H,1-2,5,9-10H2,(H2,19,24)/t12-/m1/s1.
What are the key properties of 6-[(3R)-3-(1,3-benzodioxole-5-carbonyl)piperidin-1-yl]pyrazine-2-carboxamide?
6-[(3R)-3-(1,3-benzodioxole-5-carbonyl)piperidin-1-yl]pyrazine-2-carboxamide has a molecular weight of 354.37 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-(1,3-benzodioxole-5-carbonyl)piperidin-1-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 95559675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).