N-(1-benzylpiperidin-4-yl)-2,3-dimethoxybenzamide

C21H26N2O3 — CID 13314232

IUPACN-(1-benzylpiperidin-4-yl)-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1OC
InChIInChI=1S/C21H26N2O3/c1-25-19-10-6-9-18(20(19)26-2)21(24)22-17-11-13-23(14-12-17)15-16-7-4-3-5-8-16/h3-10,17H,11-15H2,1-2H3,(H,22,24)
InChIKeyCFOLDWHTVLAWTI-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.10
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-2,3-dimethoxybenzamide

N-(1-benzylpiperidin-4-yl)-2,3-dimethoxybenzamide (PubChem CID 13314232) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2,3-dimethoxybenzamide
PubChem CID13314232
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-(1-benzylpiperidin-4-yl)-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1OC
InChIInChI=1S/C21H26N2O3/c1-25-19-10-6-9-18(20(19)26-2)21(24)22-17-11-13-23(14-12-17)15-16-7-4-3-5-8-16/h3-10,17H,11-15H2,1-2H3,(H,22,24)
InChIKeyCFOLDWHTVLAWTI-UHFFFAOYSA-N
XLogP3.10
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2,3-dimethoxybenzamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2,3-dimethoxybenzamide (CID 13314232) is N-(1-benzylpiperidin-4-yl)-2,3-dimethoxybenzamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2,3-dimethoxybenzamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2,3-dimethoxybenzamide is COc1cccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1OC.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2,3-dimethoxybenzamide?
The InChIKey is CFOLDWHTVLAWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-25-19-10-6-9-18(20(19)26-2)21(24)22-17-11-13-23(14-12-17)15-16-7-4-3-5-8-16/h3-10,17H,11-15H2,1-2H3,(H,22,24).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2,3-dimethoxybenzamide?
N-(1-benzylpiperidin-4-yl)-2,3-dimethoxybenzamide has a molecular weight of 354.45 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2,3-dimethoxybenzamide is sourced from PubChem (CID 13314232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).