N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(1,2,3,4-tetrahydroacridin-9-ylamino)acetamide

C29H36N4O — CID 10004239

IUPACN-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(1,2,3,4-tetrahydroacridin-9-ylamino)acetamide
SMILESO=C(CNc1c2c(nc3ccccc13)CCCC2)NCCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C29H36N4O/c34-28(30-17-14-22-15-18-33(19-16-22)21-23-8-2-1-3-9-23)20-31-29-24-10-4-6-12-26(24)32-27-13-7-5-11-25(27)29/h1-4,6,8-10,12,22H,5,7,11,13-21H2,(H,30,34)(H,31,32)
InChIKeyAYESZVAJFBYQHK-UHFFFAOYSA-N
MW456.63 g/mol
LogP4.94
Rot. Bonds8

About N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(1,2,3,4-tetrahydroacridin-9-ylamino)acetamide

N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(1,2,3,4-tetrahydroacridin-9-ylamino)acetamide (PubChem CID 10004239) has the molecular formula C29H36N4O and a molecular weight of 456.63 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(1,2,3,4-tetrahydroacridin-9-ylamino)acetamide.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(1,2,3,4-tetrahydroacridin-9-ylamino)acetamide
PubChem CID10004239
Molecular FormulaC29H36N4O
Molecular Weight456.63 g/mol
Exact Mass456.29
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(1,2,3,4-tetrahydroacridin-9-ylamino)acetamide
SMILESO=C(CNc1c2c(nc3ccccc13)CCCC2)NCCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C29H36N4O/c34-28(30-17-14-22-15-18-33(19-16-22)21-23-8-2-1-3-9-23)20-31-29-24-10-4-6-12-26(24)32-27-13-7-5-11-25(27)29/h1-4,6,8-10,12,22H,5,7,11,13-21H2,(H,30,34)(H,31,32)
InChIKeyAYESZVAJFBYQHK-UHFFFAOYSA-N
XLogP4.94
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.63
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(1,2,3,4-tetrahydroacridin-9-ylamino)acetamide?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(1,2,3,4-tetrahydroacridin-9-ylamino)acetamide (CID 10004239) is N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(1,2,3,4-tetrahydroacridin-9-ylamino)acetamide.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(1,2,3,4-tetrahydroacridin-9-ylamino)acetamide?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(1,2,3,4-tetrahydroacridin-9-ylamino)acetamide is O=C(CNc1c2c(nc3ccccc13)CCCC2)NCCC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(1,2,3,4-tetrahydroacridin-9-ylamino)acetamide?
The InChIKey is AYESZVAJFBYQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O/c34-28(30-17-14-22-15-18-33(19-16-22)21-23-8-2-1-3-9-23)20-31-29-24-10-4-6-12-26(24)32-27-13-7-5-11-25(27)29/h1-4,6,8-10,12,22H,5,7,11,13-21H2,(H,30,34)(H,31,32).
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(1,2,3,4-tetrahydroacridin-9-ylamino)acetamide?
N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(1,2,3,4-tetrahydroacridin-9-ylamino)acetamide has a molecular weight of 456.63 g/mol, XLogP of 4.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(1,2,3,4-tetrahydroacridin-9-ylamino)acetamide is sourced from PubChem (CID 10004239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).