5-[3-(1-benzofuran-2-carbonylamino)piperidin-1-yl]pyrazine-2-carboxylic acid

C19H18N4O4 — CID 122054283

IUPAC5-[3-(1-benzofuran-2-carbonylamino)piperidin-1-yl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(N2CCCC(NC(=O)c3cc4ccccc4o3)C2)cn1
InChIInChI=1S/C19H18N4O4/c24-18(16-8-12-4-1-2-6-15(12)27-16)22-13-5-3-7-23(11-13)17-10-20-14(9-21-17)19(25)26/h1-2,4,6,8-10,13H,3,5,7,11H2,(H,22,24)(H,25,26)
InChIKeyVRDAOLPDEJJPHD-UHFFFAOYSA-N
MW366.38 g/mol
LogP2.32
Rot. Bonds4

About 5-[3-(1-benzofuran-2-carbonylamino)piperidin-1-yl]pyrazine-2-carboxylic acid

5-[3-(1-benzofuran-2-carbonylamino)piperidin-1-yl]pyrazine-2-carboxylic acid (PubChem CID 122054283) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is 5-[3-(1-benzofuran-2-carbonylamino)piperidin-1-yl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-(1-benzofuran-2-carbonylamino)piperidin-1-yl]pyrazine-2-carboxylic acid
PubChem CID122054283
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC Name5-[3-(1-benzofuran-2-carbonylamino)piperidin-1-yl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(N2CCCC(NC(=O)c3cc4ccccc4o3)C2)cn1
InChIInChI=1S/C19H18N4O4/c24-18(16-8-12-4-1-2-6-15(12)27-16)22-13-5-3-7-23(11-13)17-10-20-14(9-21-17)19(25)26/h1-2,4,6,8-10,13H,3,5,7,11H2,(H,22,24)(H,25,26)
InChIKeyVRDAOLPDEJJPHD-UHFFFAOYSA-N
XLogP2.32
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]-1-benzofuran-2-carboxamide
CID 127447427
N-[(3R)-piperidin-3-yl]-1-benzofuran-2-carboxamide
CID 93216054
cis-(1R,3S)-3-(1-benzofuran-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 97318321
N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-1-benzofuran-2-carboxamide
CID 86772115
2-oxo-N-(1-pyridin-2-ylpyrrolidin-3-yl)chromene-3-carboxamide
CID 90621231
N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1-benzofuran-2-carboxamide
CID 7255005
N-[2-(1-benzofuran-2-carbonylamino)cyclohexyl]-1-benzofuran-2-carboxamide
CID 171722189
N-[1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-3-yl]-1-benzofuran-2-carboxamide;hydrochloride
CID 120937372
ethyl 4-(1-benzofuran-2-carbonylamino)piperidine-1-carboxylate
CID 31843225
7-methoxy-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]-1-benzofuran-2-carboxamide
CID 99715119
N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]pyrazine-2-carboxamide
CID 91904766
N-cyclopropyl-5-pyrrolidin-1-ylpyrazine-2-carboxamide
CID 109271555

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1-benzofuran-2-carbonylamino)piperidin-1-yl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[3-(1-benzofuran-2-carbonylamino)piperidin-1-yl]pyrazine-2-carboxylic acid (CID 122054283) is 5-[3-(1-benzofuran-2-carbonylamino)piperidin-1-yl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[3-(1-benzofuran-2-carbonylamino)piperidin-1-yl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[3-(1-benzofuran-2-carbonylamino)piperidin-1-yl]pyrazine-2-carboxylic acid is O=C(O)c1cnc(N2CCCC(NC(=O)c3cc4ccccc4o3)C2)cn1.
What is the InChIKey of 5-[3-(1-benzofuran-2-carbonylamino)piperidin-1-yl]pyrazine-2-carboxylic acid?
The InChIKey is VRDAOLPDEJJPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4/c24-18(16-8-12-4-1-2-6-15(12)27-16)22-13-5-3-7-23(11-13)17-10-20-14(9-21-17)19(25)26/h1-2,4,6,8-10,13H,3,5,7,11H2,(H,22,24)(H,25,26).
What are the key properties of 5-[3-(1-benzofuran-2-carbonylamino)piperidin-1-yl]pyrazine-2-carboxylic acid?
5-[3-(1-benzofuran-2-carbonylamino)piperidin-1-yl]pyrazine-2-carboxylic acid has a molecular weight of 366.38 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1-benzofuran-2-carbonylamino)piperidin-1-yl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122054283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).