9-(2-piperidin-1-ylethyl)-5,6,7,8-tetrahydroacridine-3-carboxamide

C21H27N3O — CID 174767399

IUPAC9-(2-piperidin-1-ylethyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
SMILESNC(=O)c1ccc2c(CCN3CCCCC3)c3c(nc2c1)CCCC3
InChIInChI=1S/C21H27N3O/c22-21(25)15-8-9-18-16(10-13-24-11-4-1-5-12-24)17-6-2-3-7-19(17)23-20(18)14-15/h8-9,14H,1-7,10-13H2,(H2,22,25)
InChIKeyCJWGMSZWGKUSNZ-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.24
Rot. Bonds4

About 9-(2-piperidin-1-ylethyl)-5,6,7,8-tetrahydroacridine-3-carboxamide

9-(2-piperidin-1-ylethyl)-5,6,7,8-tetrahydroacridine-3-carboxamide (PubChem CID 174767399) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 9-(2-piperidin-1-ylethyl)-5,6,7,8-tetrahydroacridine-3-carboxamide.

Molecular Properties

Compound Name9-(2-piperidin-1-ylethyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
PubChem CID174767399
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name9-(2-piperidin-1-ylethyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
SMILESNC(=O)c1ccc2c(CCN3CCCCC3)c3c(nc2c1)CCCC3
InChIInChI=1S/C21H27N3O/c22-21(25)15-8-9-18-16(10-13-24-11-4-1-5-12-24)17-6-2-3-7-19(17)23-20(18)14-15/h8-9,14H,1-7,10-13H2,(H2,22,25)
InChIKeyCJWGMSZWGKUSNZ-UHFFFAOYSA-N
XLogP3.24
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(2-piperidin-1-ylethyl)-5,6,7,8-tetrahydroacridine-3-carboxamide?
The IUPAC name of 9-(2-piperidin-1-ylethyl)-5,6,7,8-tetrahydroacridine-3-carboxamide (CID 174767399) is 9-(2-piperidin-1-ylethyl)-5,6,7,8-tetrahydroacridine-3-carboxamide.
What is the SMILES notation for 9-(2-piperidin-1-ylethyl)-5,6,7,8-tetrahydroacridine-3-carboxamide?
The canonical SMILES for 9-(2-piperidin-1-ylethyl)-5,6,7,8-tetrahydroacridine-3-carboxamide is NC(=O)c1ccc2c(CCN3CCCCC3)c3c(nc2c1)CCCC3.
What is the InChIKey of 9-(2-piperidin-1-ylethyl)-5,6,7,8-tetrahydroacridine-3-carboxamide?
The InChIKey is CJWGMSZWGKUSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c22-21(25)15-8-9-18-16(10-13-24-11-4-1-5-12-24)17-6-2-3-7-19(17)23-20(18)14-15/h8-9,14H,1-7,10-13H2,(H2,22,25).
What are the key properties of 9-(2-piperidin-1-ylethyl)-5,6,7,8-tetrahydroacridine-3-carboxamide?
9-(2-piperidin-1-ylethyl)-5,6,7,8-tetrahydroacridine-3-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-piperidin-1-ylethyl)-5,6,7,8-tetrahydroacridine-3-carboxamide is sourced from PubChem (CID 174767399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).