2-benzyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide

C22H28N2O2 — CID 120890613

IUPAC2-benzyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
SMILESCOCC1(CNC(=O)c2ccccc2Cc2ccccc2)CCNCC1
InChIInChI=1S/C22H28N2O2/c1-26-17-22(11-13-23-14-12-22)16-24-21(25)20-10-6-5-9-19(20)15-18-7-3-2-4-8-18/h2-10,23H,11-17H2,1H3,(H,24,25)
InChIKeyLMTSFCUPEZCNMN-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.02
Rot. Bonds7

About 2-benzyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide

2-benzyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide (PubChem CID 120890613) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-benzyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name2-benzyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
PubChem CID120890613
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name2-benzyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
SMILESCOCC1(CNC(=O)c2ccccc2Cc2ccccc2)CCNCC1
InChIInChI=1S/C22H28N2O2/c1-26-17-22(11-13-23-14-12-22)16-24-21(25)20-10-6-5-9-19(20)15-18-7-3-2-4-8-18/h2-10,23H,11-17H2,1H3,(H,24,25)
InChIKeyLMTSFCUPEZCNMN-UHFFFAOYSA-N
XLogP3.02
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide;hydrochloride
CID 120888347
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888662
2-(2-benzylphenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
CID 120891722
2-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbenzamide
CID 120889901
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide
CID 120890077
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-propan-2-ylsulfanylbenzamide;hydrochloride
CID 120889312
2-(difluoromethylsulfanyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888588
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylmethoxypropanamide
CID 120890807
2-(2-amino-2-oxoethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120892177
N-[(4-benzylpiperidin-4-yl)methyl]-2-methoxybenzamide
CID 22240946
2-ethoxy-3-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888755
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylquinoline-4-carboxamide;dihydrochloride
CID 120892003

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide?
The IUPAC name of 2-benzyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide (CID 120890613) is 2-benzyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 2-benzyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 2-benzyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide is COCC1(CNC(=O)c2ccccc2Cc2ccccc2)CCNCC1.
What is the InChIKey of 2-benzyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide?
The InChIKey is LMTSFCUPEZCNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-26-17-22(11-13-23-14-12-22)16-24-21(25)20-10-6-5-9-19(20)15-18-7-3-2-4-8-18/h2-10,23H,11-17H2,1H3,(H,24,25).
What are the key properties of 2-benzyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide?
2-benzyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide has a molecular weight of 352.48 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 120890613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).