N-(1-benzylpiperidin-4-yl)-2-methoxy-4-(methylamino)benzamide

C21H27N3O2 — CID 58730731

IUPACN-(1-benzylpiperidin-4-yl)-2-methoxy-4-(methylamino)benzamide
SMILESCNc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c(OC)c1
InChIInChI=1S/C21H27N3O2/c1-22-18-8-9-19(20(14-18)26-2)21(25)23-17-10-12-24(13-11-17)15-16-6-4-3-5-7-16/h3-9,14,17,22H,10-13,15H2,1-2H3,(H,23,25)
InChIKeyLMNNNCIUFNTSKR-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.13
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-2-methoxy-4-(methylamino)benzamide

N-(1-benzylpiperidin-4-yl)-2-methoxy-4-(methylamino)benzamide (PubChem CID 58730731) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-methoxy-4-(methylamino)benzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-methoxy-4-(methylamino)benzamide
PubChem CID58730731
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-methoxy-4-(methylamino)benzamide
SMILESCNc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c(OC)c1
InChIInChI=1S/C21H27N3O2/c1-22-18-8-9-19(20(14-18)26-2)21(25)23-17-10-12-24(13-11-17)15-16-6-4-3-5-7-16/h3-9,14,17,22H,10-13,15H2,1-2H3,(H,23,25)
InChIKeyLMNNNCIUFNTSKR-UHFFFAOYSA-N
XLogP3.13
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-benzylphenyl)carbamoyl-methylamino]-N-(1-benzylpiperidin-4-yl)-2-methoxybenzamide
CID 58730707
4-acetamido-N-(1-benzylpiperidin-4-yl)-2-phenylmethoxybenzamide
CID 154225250
4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;dihydrochloride
CID 119827622
N-(1-benzylpiperidin-4-yl)-5-iodo-2,3-dimethoxybenzamide
CID 15167711
N-(1-benzylpiperidin-4-yl)-5-butyl-2,3-dimethoxybenzamide
CID 15167722
N-(1-benzylpiperidin-4-yl)-4-bromo-1-methoxynaphthalene-2-carboxamide
CID 10789834
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)-5-chloro-2-methoxy-4-[(2-piperidin-1-ylacetyl)amino]benzamide
CID 3044764
N-(1-benzylpiperidin-4-yl)-3-bromo-5-ethyl-2-methoxybenzamide
CID 15167709

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-methoxy-4-(methylamino)benzamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-methoxy-4-(methylamino)benzamide (CID 58730731) is N-(1-benzylpiperidin-4-yl)-2-methoxy-4-(methylamino)benzamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-methoxy-4-(methylamino)benzamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-methoxy-4-(methylamino)benzamide is CNc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c(OC)c1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-methoxy-4-(methylamino)benzamide?
The InChIKey is LMNNNCIUFNTSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-22-18-8-9-19(20(14-18)26-2)21(25)23-17-10-12-24(13-11-17)15-16-6-4-3-5-7-16/h3-9,14,17,22H,10-13,15H2,1-2H3,(H,23,25).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-methoxy-4-(methylamino)benzamide?
N-(1-benzylpiperidin-4-yl)-2-methoxy-4-(methylamino)benzamide has a molecular weight of 353.47 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-methoxy-4-(methylamino)benzamide is sourced from PubChem (CID 58730731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).