N-(1-benzylpiperidin-4-yl)-5-butyl-2,3-dimethoxybenzamide

C25H34N2O3 — CID 15167722

IUPACN-(1-benzylpiperidin-4-yl)-5-butyl-2,3-dimethoxybenzamide
SMILESCCCCc1cc(OC)c(OC)c(C(=O)NC2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C25H34N2O3/c1-4-5-9-20-16-22(24(30-3)23(17-20)29-2)25(28)26-21-12-14-27(15-13-21)18-19-10-7-6-8-11-19/h6-8,10-11,16-17,21H,4-5,9,12-15,18H2,1-3H3,(H,26,28)
InChIKeyUCZRCVMHLVZTJF-UHFFFAOYSA-N
MW410.56 g/mol
LogP4.44
Rot. Bonds9

About N-(1-benzylpiperidin-4-yl)-5-butyl-2,3-dimethoxybenzamide

N-(1-benzylpiperidin-4-yl)-5-butyl-2,3-dimethoxybenzamide (PubChem CID 15167722) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-5-butyl-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-5-butyl-2,3-dimethoxybenzamide
PubChem CID15167722
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC NameN-(1-benzylpiperidin-4-yl)-5-butyl-2,3-dimethoxybenzamide
SMILESCCCCc1cc(OC)c(OC)c(C(=O)NC2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C25H34N2O3/c1-4-5-9-20-16-22(24(30-3)23(17-20)29-2)25(28)26-21-12-14-27(15-13-21)18-19-10-7-6-8-11-19/h6-8,10-11,16-17,21H,4-5,9,12-15,18H2,1-3H3,(H,26,28)
InChIKeyUCZRCVMHLVZTJF-UHFFFAOYSA-N
XLogP4.44
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpiperidin-4-yl)-5-iodo-2,3-dimethoxybenzamide
CID 15167711
N-(1-benzylpiperidin-4-yl)-3-bromo-5-ethyl-2-methoxybenzamide
CID 15167709
N-(1-benzylpiperidin-4-yl)-4-bromo-1-methoxynaphthalene-2-carboxamide
CID 10789834
N-(1-benzylpiperidin-4-yl)-2-methoxy-4-(methylamino)benzamide
CID 58730731
4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;dihydrochloride
CID 119827622
N-(1-benzylpyrrolidin-3-yl)-2,5-dimethoxybenzamide
CID 18156341
N-(1-benzylpiperidin-4-yl)-3-bromo-2-hydroxy-6-methoxybenzamide
CID 15167739
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
N-(1-benzylpiperidin-4-yl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
CID 127254911
N-(1-benzylpiperidin-4-yl)-3-butoxybenzamide
CID 17176524
1-(1-benzylpiperidin-4-yl)-3-(2-methoxyphenyl)urea
CID 6469046
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methoxy-5-methylbenzamide
CID 8590309

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-5-butyl-2,3-dimethoxybenzamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-5-butyl-2,3-dimethoxybenzamide (CID 15167722) is N-(1-benzylpiperidin-4-yl)-5-butyl-2,3-dimethoxybenzamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-5-butyl-2,3-dimethoxybenzamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-5-butyl-2,3-dimethoxybenzamide is CCCCc1cc(OC)c(OC)c(C(=O)NC2CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-5-butyl-2,3-dimethoxybenzamide?
The InChIKey is UCZRCVMHLVZTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-4-5-9-20-16-22(24(30-3)23(17-20)29-2)25(28)26-21-12-14-27(15-13-21)18-19-10-7-6-8-11-19/h6-8,10-11,16-17,21H,4-5,9,12-15,18H2,1-3H3,(H,26,28).
What are the key properties of N-(1-benzylpiperidin-4-yl)-5-butyl-2,3-dimethoxybenzamide?
N-(1-benzylpiperidin-4-yl)-5-butyl-2,3-dimethoxybenzamide has a molecular weight of 410.56 g/mol, XLogP of 4.44, 9 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)-5-butyl-2,3-dimethoxybenzamide is sourced from PubChem (CID 15167722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).