2-methoxy-9-[(1-methylpiperidin-4-yl)amino]-5,6,7,8-tetrahydroacridine-3-carbonitrile

C21H26N4O — CID 166560629

IUPAC2-methoxy-9-[(1-methylpiperidin-4-yl)amino]-5,6,7,8-tetrahydroacridine-3-carbonitrile
SMILESCOc1cc2c(NC3CCN(C)CC3)c3c(nc2cc1C#N)CCCC3
InChIInChI=1S/C21H26N4O/c1-25-9-7-15(8-10-25)23-21-16-5-3-4-6-18(16)24-19-11-14(13-22)20(26-2)12-17(19)21/h11-12,15H,3-10H2,1-2H3,(H,23,24)
InChIKeyKSAKUYLEBVDKIS-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.50
Rot. Bonds3

About 2-methoxy-9-[(1-methylpiperidin-4-yl)amino]-5,6,7,8-tetrahydroacridine-3-carbonitrile

2-methoxy-9-[(1-methylpiperidin-4-yl)amino]-5,6,7,8-tetrahydroacridine-3-carbonitrile (PubChem CID 166560629) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-methoxy-9-[(1-methylpiperidin-4-yl)amino]-5,6,7,8-tetrahydroacridine-3-carbonitrile.

Molecular Properties

Compound Name2-methoxy-9-[(1-methylpiperidin-4-yl)amino]-5,6,7,8-tetrahydroacridine-3-carbonitrile
PubChem CID166560629
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name2-methoxy-9-[(1-methylpiperidin-4-yl)amino]-5,6,7,8-tetrahydroacridine-3-carbonitrile
SMILESCOc1cc2c(NC3CCN(C)CC3)c3c(nc2cc1C#N)CCCC3
InChIInChI=1S/C21H26N4O/c1-25-9-7-15(8-10-25)23-21-16-5-3-4-6-18(16)24-19-11-14(13-22)20(26-2)12-17(19)21/h11-12,15H,3-10H2,1-2H3,(H,23,24)
InChIKeyKSAKUYLEBVDKIS-UHFFFAOYSA-N
XLogP3.50
TPSA61.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-9-[(1-methylpiperidin-4-yl)amino]-5,6,7,8-tetrahydroacridine-3-carbonitrile?
The IUPAC name of 2-methoxy-9-[(1-methylpiperidin-4-yl)amino]-5,6,7,8-tetrahydroacridine-3-carbonitrile (CID 166560629) is 2-methoxy-9-[(1-methylpiperidin-4-yl)amino]-5,6,7,8-tetrahydroacridine-3-carbonitrile.
What is the SMILES notation for 2-methoxy-9-[(1-methylpiperidin-4-yl)amino]-5,6,7,8-tetrahydroacridine-3-carbonitrile?
The canonical SMILES for 2-methoxy-9-[(1-methylpiperidin-4-yl)amino]-5,6,7,8-tetrahydroacridine-3-carbonitrile is COc1cc2c(NC3CCN(C)CC3)c3c(nc2cc1C#N)CCCC3.
What is the InChIKey of 2-methoxy-9-[(1-methylpiperidin-4-yl)amino]-5,6,7,8-tetrahydroacridine-3-carbonitrile?
The InChIKey is KSAKUYLEBVDKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-25-9-7-15(8-10-25)23-21-16-5-3-4-6-18(16)24-19-11-14(13-22)20(26-2)12-17(19)21/h11-12,15H,3-10H2,1-2H3,(H,23,24).
What are the key properties of 2-methoxy-9-[(1-methylpiperidin-4-yl)amino]-5,6,7,8-tetrahydroacridine-3-carbonitrile?
2-methoxy-9-[(1-methylpiperidin-4-yl)amino]-5,6,7,8-tetrahydroacridine-3-carbonitrile has a molecular weight of 350.47 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-9-[(1-methylpiperidin-4-yl)amino]-5,6,7,8-tetrahydroacridine-3-carbonitrile is sourced from PubChem (CID 166560629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).