1-methyl-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-3-carboxamide

C21H26N4O2 — CID 45167496

IUPAC1-methyl-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-3-carboxamide
SMILESCc1cc2c(c(-c3cnccn3)c1)OC(CNC(=O)C1CCCN(C)C1)C2
InChIInChI=1S/C21H26N4O2/c1-14-8-16-10-17(11-24-21(26)15-4-3-7-25(2)13-15)27-20(16)18(9-14)19-12-22-5-6-23-19/h5-6,8-9,12,15,17H,3-4,7,10-11,13H2,1-2H3,(H,24,26)
InChIKeyULOLRRVXTRJZTG-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.21
Rot. Bonds4

About 1-methyl-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-3-carboxamide

1-methyl-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-3-carboxamide (PubChem CID 45167496) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 1-methyl-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-3-carboxamide
PubChem CID45167496
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name1-methyl-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-3-carboxamide
SMILESCc1cc2c(c(-c3cnccn3)c1)OC(CNC(=O)C1CCCN(C)C1)C2
InChIInChI=1S/C21H26N4O2/c1-14-8-16-10-17(11-24-21(26)15-4-3-7-25(2)13-15)27-20(16)18(9-14)19-12-22-5-6-23-19/h5-6,8-9,12,15,17H,3-4,7,10-11,13H2,1-2H3,(H,24,26)
InChIKeyULOLRRVXTRJZTG-UHFFFAOYSA-N
XLogP2.21
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-methyl-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-3-carboxamide (CID 45167496) is 1-methyl-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-methyl-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-3-carboxamide is Cc1cc2c(c(-c3cnccn3)c1)OC(CNC(=O)C1CCCN(C)C1)C2.
What is the InChIKey of 1-methyl-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-3-carboxamide?
The InChIKey is ULOLRRVXTRJZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-14-8-16-10-17(11-24-21(26)15-4-3-7-25(2)13-15)27-20(16)18(9-14)19-12-22-5-6-23-19/h5-6,8-9,12,15,17H,3-4,7,10-11,13H2,1-2H3,(H,24,26).
What are the key properties of 1-methyl-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-3-carboxamide?
1-methyl-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-3-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 45167496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).