N-(1-benzylpiperidin-4-yl)-2-(3,4,5-trimethoxyphenyl)acetamide

C23H30N2O4 — CID 10739649

IUPACN-(1-benzylpiperidin-4-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc(OC)c1OC
InChIInChI=1S/C23H30N2O4/c1-27-20-13-18(14-21(28-2)23(20)29-3)15-22(26)24-19-9-11-25(12-10-19)16-17-7-5-4-6-8-17/h4-8,13-14,19H,9-12,15-16H2,1-3H3,(H,24,26)
InChIKeyVCNMHOHYMFXCOI-UHFFFAOYSA-N
MW398.50 g/mol
LogP3.04
Rot. Bonds8

About N-(1-benzylpiperidin-4-yl)-2-(3,4,5-trimethoxyphenyl)acetamide

N-(1-benzylpiperidin-4-yl)-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 10739649) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID10739649
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc(OC)c1OC
InChIInChI=1S/C23H30N2O4/c1-27-20-13-18(14-21(28-2)23(20)29-3)15-22(26)24-19-9-11-25(12-10-19)16-17-7-5-4-6-8-17/h4-8,13-14,19H,9-12,15-16H2,1-3H3,(H,24,26)
InChIKeyVCNMHOHYMFXCOI-UHFFFAOYSA-N
XLogP3.04
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(3,4,5-trimethoxyphenyl)acetamide (CID 10739649) is N-(1-benzylpiperidin-4-yl)-2-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc(OC)c1OC.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is VCNMHOHYMFXCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-27-20-13-18(14-21(28-2)23(20)29-3)15-22(26)24-19-9-11-25(12-10-19)16-17-7-5-4-6-8-17/h4-8,13-14,19H,9-12,15-16H2,1-3H3,(H,24,26).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-(3,4,5-trimethoxyphenyl)acetamide?
N-(1-benzylpiperidin-4-yl)-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 398.50 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 10739649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).