[6-(3-methyl-3-phenylpiperidin-1-yl)pyrazin-2-yl]-morpholin-4-ylmethanone

C21H26N4O2 — CID 72904435

IUPAC[6-(3-methyl-3-phenylpiperidin-1-yl)pyrazin-2-yl]-morpholin-4-ylmethanone
SMILESCC1(c2ccccc2)CCCN(c2cncc(C(=O)N3CCOCC3)n2)C1
InChIInChI=1S/C21H26N4O2/c1-21(17-6-3-2-4-7-17)8-5-9-25(16-21)19-15-22-14-18(23-19)20(26)24-10-12-27-13-11-24/h2-4,6-7,14-15H,5,8-13,16H2,1H3
InChIKeyCDPPXCSSHXEROL-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.51
Rot. Bonds3

About [6-(3-methyl-3-phenylpiperidin-1-yl)pyrazin-2-yl]-morpholin-4-ylmethanone

[6-(3-methyl-3-phenylpiperidin-1-yl)pyrazin-2-yl]-morpholin-4-ylmethanone (PubChem CID 72904435) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is [6-(3-methyl-3-phenylpiperidin-1-yl)pyrazin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-(3-methyl-3-phenylpiperidin-1-yl)pyrazin-2-yl]-morpholin-4-ylmethanone
PubChem CID72904435
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name[6-(3-methyl-3-phenylpiperidin-1-yl)pyrazin-2-yl]-morpholin-4-ylmethanone
SMILESCC1(c2ccccc2)CCCN(c2cncc(C(=O)N3CCOCC3)n2)C1
InChIInChI=1S/C21H26N4O2/c1-21(17-6-3-2-4-7-17)8-5-9-25(16-21)19-15-22-14-18(23-19)20(26)24-10-12-27-13-11-24/h2-4,6-7,14-15H,5,8-13,16H2,1H3
InChIKeyCDPPXCSSHXEROL-UHFFFAOYSA-N
XLogP2.51
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(3-methyl-3-phenylpiperidin-1-yl)pyrazin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [6-(3-methyl-3-phenylpiperidin-1-yl)pyrazin-2-yl]-morpholin-4-ylmethanone (CID 72904435) is [6-(3-methyl-3-phenylpiperidin-1-yl)pyrazin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-(3-methyl-3-phenylpiperidin-1-yl)pyrazin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-(3-methyl-3-phenylpiperidin-1-yl)pyrazin-2-yl]-morpholin-4-ylmethanone is CC1(c2ccccc2)CCCN(c2cncc(C(=O)N3CCOCC3)n2)C1.
What is the InChIKey of [6-(3-methyl-3-phenylpiperidin-1-yl)pyrazin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is CDPPXCSSHXEROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-21(17-6-3-2-4-7-17)8-5-9-25(16-21)19-15-22-14-18(23-19)20(26)24-10-12-27-13-11-24/h2-4,6-7,14-15H,5,8-13,16H2,1H3.
What are the key properties of [6-(3-methyl-3-phenylpiperidin-1-yl)pyrazin-2-yl]-morpholin-4-ylmethanone?
[6-(3-methyl-3-phenylpiperidin-1-yl)pyrazin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 366.47 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-methyl-3-phenylpiperidin-1-yl)pyrazin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 72904435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).