N-[(1-benzylpiperidin-2-yl)methyl]-2-methoxybenzamide

C21H26N2O2 — CID 47082197

IUPACN-[(1-benzylpiperidin-2-yl)methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCC1CCCCN1Cc1ccccc1
InChIInChI=1S/C21H26N2O2/c1-25-20-13-6-5-12-19(20)21(24)22-15-18-11-7-8-14-23(18)16-17-9-3-2-4-10-17/h2-6,9-10,12-13,18H,7-8,11,14-16H2,1H3,(H,22,24)
InChIKeyUWUIZIRYHRVXDA-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.48
Rot. Bonds6

About N-[(1-benzylpiperidin-2-yl)methyl]-2-methoxybenzamide

N-[(1-benzylpiperidin-2-yl)methyl]-2-methoxybenzamide (PubChem CID 47082197) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-2-yl)methyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-2-yl)methyl]-2-methoxybenzamide
PubChem CID47082197
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[(1-benzylpiperidin-2-yl)methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCC1CCCCN1Cc1ccccc1
InChIInChI=1S/C21H26N2O2/c1-25-20-13-6-5-12-19(20)21(24)22-15-18-11-7-8-14-23(18)16-17-9-3-2-4-10-17/h2-6,9-10,12-13,18H,7-8,11,14-16H2,1H3,(H,22,24)
InChIKeyUWUIZIRYHRVXDA-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 47416436
methyl 3-[(1-benzylpiperidin-2-yl)methylcarbamoyl]benzoate
CID 60595175
5-amino-N-[(1-benzylpiperidin-2-yl)methyl]-2-methylbenzamide
CID 120645194
N-[(1-benzylpiperidin-2-yl)methyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119861781
N-[(1-benzylpyrrolidin-2-yl)methyl]-5-(methanesulfonamido)-2-methoxy-4-methylbenzamide
CID 12849710
N-[(1-benzylpiperidin-2-yl)methyl]-2-ethylbutanamide
CID 60595063
N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-3-bromo-2-hydroxy-5,6-dimethoxybenzamide
CID 14894161
2-methoxy-N-[[(1R,3R)-3-[[(2-methoxybenzoyl)amino]methyl]cyclohexyl]methyl]benzamide
CID 7649857
N-[(1-benzylpyrrolidin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 20544751
N-[(1-benzylpiperidin-2-yl)methyl]-2-(cyclopropylmethoxy)propanamide
CID 86853824
N-[(1-benzylpiperidin-2-yl)methyl]-4-methoxypiperidine-4-carboxamide
CID 119861772
2-methoxy-N-[[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 95222271

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-2-yl)methyl]-2-methoxybenzamide?
The IUPAC name of N-[(1-benzylpiperidin-2-yl)methyl]-2-methoxybenzamide (CID 47082197) is N-[(1-benzylpiperidin-2-yl)methyl]-2-methoxybenzamide.
What is the SMILES notation for N-[(1-benzylpiperidin-2-yl)methyl]-2-methoxybenzamide?
The canonical SMILES for N-[(1-benzylpiperidin-2-yl)methyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCC1CCCCN1Cc1ccccc1.
What is the InChIKey of N-[(1-benzylpiperidin-2-yl)methyl]-2-methoxybenzamide?
The InChIKey is UWUIZIRYHRVXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-25-20-13-6-5-12-19(20)21(24)22-15-18-11-7-8-14-23(18)16-17-9-3-2-4-10-17/h2-6,9-10,12-13,18H,7-8,11,14-16H2,1H3,(H,22,24).
What are the key properties of N-[(1-benzylpiperidin-2-yl)methyl]-2-methoxybenzamide?
N-[(1-benzylpiperidin-2-yl)methyl]-2-methoxybenzamide has a molecular weight of 338.45 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-2-yl)methyl]-2-methoxybenzamide is sourced from PubChem (CID 47082197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).