1-[5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea;bis(1-[5-methyl-2-[(1-methylpiperidin-3-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea);1-[5-methyl-2-[(1-methylpiperidin-4-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea

C80H108N20O8 — CID 162035142

IUPAC1-[5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea;bis(1-[5-methyl-2-[(1-methylpiperidin-3-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea);1-[5-methyl-2-[(1-methylpiperidin-4-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea
SMILESCc1ccc(OCC2CCCCN2C)c(NC(=O)Nc2cnc(C)cn2)c1.Cc1ccc(OCC2CCCN(C)C2)c(NC(=O)Nc2cnc(C)cn2)c1.Cc1ccc(OCC2CCCN(C)C2)c(NC(=O)Nc2cnc(C)cn2)c1.Cc1ccc(OCC2CCN(C)CC2)c(NC(=O)Nc2cnc(C)cn2)c1
InChIInChI=1S/4C20H27N5O2/c1-14-4-5-18(27-13-16-6-8-25(3)9-7-16)17(10-14)23-20(26)24-19-12-21-15(2)11-22-19;2*1-14-6-7-18(27-13-16-5-4-8-25(3)12-16)17(9-14)23-20(26)24-19-11-21-15(2)10-22-19;1-14-7-8-18(27-13-16-6-4-5-9-25(16)3)17(10-14)23-20(26)24-19-12-21-15(2)11-22-19/h4-5,10-12,16H,6-9,13H2,1-3H3,(H2,22,23,24,26);2*6-7,9-11,16H,4-5,8,12-13H2,1-3H3,(H2,22,23,24,26);7-8,10-12,16H,4-6,9,13H2,1-3H3,(H2,22,23,24,26)
InChIKeyYWNVVIFXGLGLOW-UHFFFAOYSA-N
MW1477.88 g/mol
LogP13.97
Rot. Bonds20

About 1-[5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea;bis(1-[5-methyl-2-[(1-methylpiperidin-3-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea);1-[5-methyl-2-[(1-methylpiperidin-4-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea

1-[5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea;bis(1-[5-methyl-2-[(1-methylpiperidin-3-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea);1-[5-methyl-2-[(1-methylpiperidin-4-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea (PubChem CID 162035142) has the molecular formula C80H108N20O8 and a molecular weight of 1477.88 g/mol. Its IUPAC name is 1-[5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea;bis(1-[5-methyl-2-[(1-methylpiperidin-3-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea);1-[5-methyl-2-[(1-methylpiperidin-4-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea.

Molecular Properties

Compound Name1-[5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea;bis(1-[5-methyl-2-[(1-methylpiperidin-3-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea);1-[5-methyl-2-[(1-methylpiperidin-4-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea
PubChem CID162035142
Molecular FormulaC80H108N20O8
Molecular Weight1477.88 g/mol
Exact Mass1476.87
IUPAC Name1-[5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea;bis(1-[5-methyl-2-[(1-methylpiperidin-3-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea);1-[5-methyl-2-[(1-methylpiperidin-4-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea
SMILESCc1ccc(OCC2CCCCN2C)c(NC(=O)Nc2cnc(C)cn2)c1.Cc1ccc(OCC2CCCN(C)C2)c(NC(=O)Nc2cnc(C)cn2)c1.Cc1ccc(OCC2CCCN(C)C2)c(NC(=O)Nc2cnc(C)cn2)c1.Cc1ccc(OCC2CCN(C)CC2)c(NC(=O)Nc2cnc(C)cn2)c1
InChIInChI=1S/4C20H27N5O2/c1-14-4-5-18(27-13-16-6-8-25(3)9-7-16)17(10-14)23-20(26)24-19-12-21-15(2)11-22-19;2*1-14-6-7-18(27-13-16-5-4-8-25(3)12-16)17(9-14)23-20(26)24-19-11-21-15(2)10-22-19;1-14-7-8-18(27-13-16-6-4-5-9-25(16)3)17(10-14)23-20(26)24-19-12-21-15(2)11-22-19/h4-5,10-12,16H,6-9,13H2,1-3H3,(H2,22,23,24,26);2*6-7,9-11,16H,4-5,8,12-13H2,1-3H3,(H2,22,23,24,26);7-8,10-12,16H,4-6,9,13H2,1-3H3,(H2,22,23,24,26)
InChIKeyYWNVVIFXGLGLOW-UHFFFAOYSA-N
XLogP13.97
TPSA317.52 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms108
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001477.88
LogP ≤ 513.97
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

Analyze 1-[5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea;bis(1-[5-methyl-2-[(1-methylpiperidin-3-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea);1-[5-methyl-2-[(1-methylpiperidin-4-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea;bis(1-[5-methyl-2-[(1-methylpiperidin-3-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea);1-[5-methyl-2-[(1-methylpiperidin-4-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea?
The IUPAC name of 1-[5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea;bis(1-[5-methyl-2-[(1-methylpiperidin-3-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea);1-[5-methyl-2-[(1-methylpiperidin-4-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea (CID 162035142) is 1-[5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea;bis(1-[5-methyl-2-[(1-methylpiperidin-3-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea);1-[5-methyl-2-[(1-methylpiperidin-4-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea.
What is the SMILES notation for 1-[5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea;bis(1-[5-methyl-2-[(1-methylpiperidin-3-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea);1-[5-methyl-2-[(1-methylpiperidin-4-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea?
The canonical SMILES for 1-[5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea;bis(1-[5-methyl-2-[(1-methylpiperidin-3-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea);1-[5-methyl-2-[(1-methylpiperidin-4-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea is Cc1ccc(OCC2CCCCN2C)c(NC(=O)Nc2cnc(C)cn2)c1.Cc1ccc(OCC2CCCN(C)C2)c(NC(=O)Nc2cnc(C)cn2)c1.Cc1ccc(OCC2CCCN(C)C2)c(NC(=O)Nc2cnc(C)cn2)c1.Cc1ccc(OCC2CCN(C)CC2)c(NC(=O)Nc2cnc(C)cn2)c1.
What is the InChIKey of 1-[5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea;bis(1-[5-methyl-2-[(1-methylpiperidin-3-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea);1-[5-methyl-2-[(1-methylpiperidin-4-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea?
The InChIKey is YWNVVIFXGLGLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/4C20H27N5O2/c1-14-4-5-18(27-13-16-6-8-25(3)9-7-16)17(10-14)23-20(26)24-19-12-21-15(2)11-22-19;2*1-14-6-7-18(27-13-16-5-4-8-25(3)12-16)17(9-14)23-20(26)24-19-11-21-15(2)10-22-19;1-14-7-8-18(27-13-16-6-4-5-9-25(16)3)17(10-14)23-20(26)24-19-12-21-15(2)11-22-19/h4-5,10-12,16H,6-9,13H2,1-3H3,(H2,22,23,24,26);2*6-7,9-11,16H,4-5,8,12-13H2,1-3H3,(H2,22,23,24,26);7-8,10-12,16H,4-6,9,13H2,1-3H3,(H2,22,23,24,26).
What are the key properties of 1-[5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea;bis(1-[5-methyl-2-[(1-methylpiperidin-3-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea);1-[5-methyl-2-[(1-methylpiperidin-4-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea?
1-[5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea;bis(1-[5-methyl-2-[(1-methylpiperidin-3-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea);1-[5-methyl-2-[(1-methylpiperidin-4-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea has a molecular weight of 1477.88 g/mol, XLogP of 13.97, 20 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea;bis(1-[5-methyl-2-[(1-methylpiperidin-3-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea);1-[5-methyl-2-[(1-methylpiperidin-4-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea is sourced from PubChem (CID 162035142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).