N-[(4-benzylpiperidin-4-yl)methyl]-2-methoxybenzamide

C21H26N2O2 — CID 22240946

IUPACN-[(4-benzylpiperidin-4-yl)methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCC1(Cc2ccccc2)CCNCC1
InChIInChI=1S/C21H26N2O2/c1-25-19-10-6-5-9-18(19)20(24)23-16-21(11-13-22-14-12-21)15-17-7-3-2-4-8-17/h2-10,22H,11-16H2,1H3,(H,23,24)
InChIKeyBGQFNHHLAXKJMT-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.04
Rot. Bonds6

About N-[(4-benzylpiperidin-4-yl)methyl]-2-methoxybenzamide

N-[(4-benzylpiperidin-4-yl)methyl]-2-methoxybenzamide (PubChem CID 22240946) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[(4-benzylpiperidin-4-yl)methyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(4-benzylpiperidin-4-yl)methyl]-2-methoxybenzamide
PubChem CID22240946
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[(4-benzylpiperidin-4-yl)methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCC1(Cc2ccccc2)CCNCC1
InChIInChI=1S/C21H26N2O2/c1-25-19-10-6-5-9-18(19)20(24)23-16-21(11-13-22-14-12-21)15-17-7-3-2-4-8-17/h2-10,22H,11-16H2,1H3,(H,23,24)
InChIKeyBGQFNHHLAXKJMT-UHFFFAOYSA-N
XLogP3.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888662
4-benzyl-4-[[(2-methoxybenzoyl)amino]methyl]piperidine-1-carboxylic acid
CID 22240842
2-benzyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890613
2-(2-amino-2-oxoethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120892177
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide;hydrochloride
CID 120888347
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-methoxybenzamide
CID 90581070
4-bromo-2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120890726
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 120891916
N-[(4-ethyl-1-phenylcyclohexyl)methyl]-2-methoxybenzamide
CID 142271522
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dimethoxybenzamide
CID 115362436
2-methoxy-N-[(4-methylidene-1-phenylcyclohexyl)methyl]benzamide
CID 18009445
4,5-dimethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide
CID 120891978

Frequently Asked Questions

What is the IUPAC name of N-[(4-benzylpiperidin-4-yl)methyl]-2-methoxybenzamide?
The IUPAC name of N-[(4-benzylpiperidin-4-yl)methyl]-2-methoxybenzamide (CID 22240946) is N-[(4-benzylpiperidin-4-yl)methyl]-2-methoxybenzamide.
What is the SMILES notation for N-[(4-benzylpiperidin-4-yl)methyl]-2-methoxybenzamide?
The canonical SMILES for N-[(4-benzylpiperidin-4-yl)methyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCC1(Cc2ccccc2)CCNCC1.
What is the InChIKey of N-[(4-benzylpiperidin-4-yl)methyl]-2-methoxybenzamide?
The InChIKey is BGQFNHHLAXKJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-25-19-10-6-5-9-18(19)20(24)23-16-21(11-13-22-14-12-21)15-17-7-3-2-4-8-17/h2-10,22H,11-16H2,1H3,(H,23,24).
What are the key properties of N-[(4-benzylpiperidin-4-yl)methyl]-2-methoxybenzamide?
N-[(4-benzylpiperidin-4-yl)methyl]-2-methoxybenzamide has a molecular weight of 338.45 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-benzylpiperidin-4-yl)methyl]-2-methoxybenzamide is sourced from PubChem (CID 22240946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).