4-(4-methoxy-4-methylpiperidin-1-yl)cinnoline-3-carbonitrile

C16H18N4O — CID 146086790

IUPAC4-(4-methoxy-4-methylpiperidin-1-yl)cinnoline-3-carbonitrile
SMILESCOC1(C)CCN(c2c(C#N)nnc3ccccc23)CC1
InChIInChI=1S/C16H18N4O/c1-16(21-2)7-9-20(10-8-16)15-12-5-3-4-6-13(12)18-19-14(15)11-17/h3-6H,7-10H2,1-2H3
InChIKeyZRCPZIBRFCWREF-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.51
Rot. Bonds2

About 4-(4-methoxy-4-methylpiperidin-1-yl)cinnoline-3-carbonitrile

4-(4-methoxy-4-methylpiperidin-1-yl)cinnoline-3-carbonitrile (PubChem CID 146086790) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 4-(4-methoxy-4-methylpiperidin-1-yl)cinnoline-3-carbonitrile.

Molecular Properties

Compound Name4-(4-methoxy-4-methylpiperidin-1-yl)cinnoline-3-carbonitrile
PubChem CID146086790
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name4-(4-methoxy-4-methylpiperidin-1-yl)cinnoline-3-carbonitrile
SMILESCOC1(C)CCN(c2c(C#N)nnc3ccccc23)CC1
InChIInChI=1S/C16H18N4O/c1-16(21-2)7-9-20(10-8-16)15-12-5-3-4-6-13(12)18-19-14(15)11-17/h3-6H,7-10H2,1-2H3
InChIKeyZRCPZIBRFCWREF-UHFFFAOYSA-N
XLogP2.51
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-4-methylpiperidin-1-yl)cinnoline-3-carbonitrile?
The IUPAC name of 4-(4-methoxy-4-methylpiperidin-1-yl)cinnoline-3-carbonitrile (CID 146086790) is 4-(4-methoxy-4-methylpiperidin-1-yl)cinnoline-3-carbonitrile.
What is the SMILES notation for 4-(4-methoxy-4-methylpiperidin-1-yl)cinnoline-3-carbonitrile?
The canonical SMILES for 4-(4-methoxy-4-methylpiperidin-1-yl)cinnoline-3-carbonitrile is COC1(C)CCN(c2c(C#N)nnc3ccccc23)CC1.
What is the InChIKey of 4-(4-methoxy-4-methylpiperidin-1-yl)cinnoline-3-carbonitrile?
The InChIKey is ZRCPZIBRFCWREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-16(21-2)7-9-20(10-8-16)15-12-5-3-4-6-13(12)18-19-14(15)11-17/h3-6H,7-10H2,1-2H3.
What are the key properties of 4-(4-methoxy-4-methylpiperidin-1-yl)cinnoline-3-carbonitrile?
4-(4-methoxy-4-methylpiperidin-1-yl)cinnoline-3-carbonitrile has a molecular weight of 282.35 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-4-methylpiperidin-1-yl)cinnoline-3-carbonitrile is sourced from PubChem (CID 146086790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).