N-[(1-benzylpiperidin-4-yl)methyl]-3-methoxybenzamide

C21H26N2O2 — CID 16895714

IUPACN-[(1-benzylpiperidin-4-yl)methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C21H26N2O2/c1-25-20-9-5-8-19(14-20)21(24)22-15-17-10-12-23(13-11-17)16-18-6-3-2-4-7-18/h2-9,14,17H,10-13,15-16H2,1H3,(H,22,24)
InChIKeyCIPUKQDGKXZTGG-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.34
Rot. Bonds6

About N-[(1-benzylpiperidin-4-yl)methyl]-3-methoxybenzamide

N-[(1-benzylpiperidin-4-yl)methyl]-3-methoxybenzamide (PubChem CID 16895714) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-yl)methyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-yl)methyl]-3-methoxybenzamide
PubChem CID16895714
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[(1-benzylpiperidin-4-yl)methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C21H26N2O2/c1-25-20-9-5-8-19(14-20)21(24)22-15-17-10-12-23(13-11-17)16-18-6-3-2-4-7-18/h2-9,14,17H,10-13,15-16H2,1H3,(H,22,24)
InChIKeyCIPUKQDGKXZTGG-UHFFFAOYSA-N
XLogP3.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895960
N-[(1-acetylpiperidin-4-yl)methyl]-3-methoxybenzamide
CID 110736146
3-methoxy-N-[[1-(3-methoxybenzoyl)piperidin-4-yl]methyl]benzamide
CID 17385439
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 16895674
3-hydroxy-N-[[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]benzamide
CID 95194185
N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-methoxybenzamide
CID 110284554
tert-butyl N-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methyl]carbamate
CID 155730830
3-methyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895986
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methoxybenzamide
CID 8589988
3-methyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895892
N-[(1-benzylpiperidin-4-yl)methyl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 99841245
[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 1360916

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-3-methoxybenzamide?
The IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-3-methoxybenzamide (CID 16895714) is N-[(1-benzylpiperidin-4-yl)methyl]-3-methoxybenzamide.
What is the SMILES notation for N-[(1-benzylpiperidin-4-yl)methyl]-3-methoxybenzamide?
The canonical SMILES for N-[(1-benzylpiperidin-4-yl)methyl]-3-methoxybenzamide is COc1cccc(C(=O)NCC2CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of N-[(1-benzylpiperidin-4-yl)methyl]-3-methoxybenzamide?
The InChIKey is CIPUKQDGKXZTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-25-20-9-5-8-19(14-20)21(24)22-15-17-10-12-23(13-11-17)16-18-6-3-2-4-7-18/h2-9,14,17H,10-13,15-16H2,1H3,(H,22,24).
What are the key properties of N-[(1-benzylpiperidin-4-yl)methyl]-3-methoxybenzamide?
N-[(1-benzylpiperidin-4-yl)methyl]-3-methoxybenzamide has a molecular weight of 338.45 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-4-yl)methyl]-3-methoxybenzamide is sourced from PubChem (CID 16895714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).