N-[2-[2-(1-benzylpiperidin-4-yl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide

C25H33N3O4 — CID 23644770

IUPACN-[2-[2-(1-benzylpiperidin-4-yl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)NCCC2CCN(Cc3ccccc3)CC2)cc1OC
InChIInChI=1S/C25H33N3O4/c1-31-22-9-8-21(16-23(22)32-2)25(30)27-17-24(29)26-13-10-19-11-14-28(15-12-19)18-20-6-4-3-5-7-20/h3-9,16,19H,10-15,17-18H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyMSLKFGAGSNPVBJ-UHFFFAOYSA-N
MW439.56 g/mol
LogP2.85
Rot. Bonds10

About N-[2-[2-(1-benzylpiperidin-4-yl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide

N-[2-[2-(1-benzylpiperidin-4-yl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide (PubChem CID 23644770) has the molecular formula C25H33N3O4 and a molecular weight of 439.56 g/mol. Its IUPAC name is N-[2-[2-(1-benzylpiperidin-4-yl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[2-(1-benzylpiperidin-4-yl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
PubChem CID23644770
Molecular FormulaC25H33N3O4
Molecular Weight439.56 g/mol
Exact Mass439.25
IUPAC NameN-[2-[2-(1-benzylpiperidin-4-yl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)NCCC2CCN(Cc3ccccc3)CC2)cc1OC
InChIInChI=1S/C25H33N3O4/c1-31-22-9-8-21(16-23(22)32-2)25(30)27-17-24(29)26-13-10-19-11-14-28(15-12-19)18-20-6-4-3-5-7-20/h3-9,16,19H,10-15,17-18H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyMSLKFGAGSNPVBJ-UHFFFAOYSA-N
XLogP2.85
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1-benzylpiperidin-4-yl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-[2-(1-benzylpiperidin-4-yl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide (CID 23644770) is N-[2-[2-(1-benzylpiperidin-4-yl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-[2-(1-benzylpiperidin-4-yl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-[2-(1-benzylpiperidin-4-yl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCC(=O)NCCC2CCN(Cc3ccccc3)CC2)cc1OC.
What is the InChIKey of N-[2-[2-(1-benzylpiperidin-4-yl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide?
The InChIKey is MSLKFGAGSNPVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O4/c1-31-22-9-8-21(16-23(22)32-2)25(30)27-17-24(29)26-13-10-19-11-14-28(15-12-19)18-20-6-4-3-5-7-20/h3-9,16,19H,10-15,17-18H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of N-[2-[2-(1-benzylpiperidin-4-yl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide?
N-[2-[2-(1-benzylpiperidin-4-yl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide has a molecular weight of 439.56 g/mol, XLogP of 2.85, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1-benzylpiperidin-4-yl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 23644770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).