2-benzyl-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]benzamide

C27H30N2O2 — CID 69193811

IUPAC2-benzyl-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]benzamide
SMILESCN1CCC(Oc2cccc(CNC(=O)c3ccccc3Cc3ccccc3)c2)CC1
InChIInChI=1S/C27H30N2O2/c1-29-16-14-24(15-17-29)31-25-12-7-10-22(19-25)20-28-27(30)26-13-6-5-11-23(26)18-21-8-3-2-4-9-21/h2-13,19,24H,14-18,20H2,1H3,(H,28,30)
InChIKeyNYBXEMBNRRWKFG-UHFFFAOYSA-N
MW414.55 g/mol
LogP4.68
Rot. Bonds7

About 2-benzyl-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]benzamide

2-benzyl-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]benzamide (PubChem CID 69193811) has the molecular formula C27H30N2O2 and a molecular weight of 414.55 g/mol. Its IUPAC name is 2-benzyl-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]benzamide.

Molecular Properties

Compound Name2-benzyl-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]benzamide
PubChem CID69193811
Molecular FormulaC27H30N2O2
Molecular Weight414.55 g/mol
Exact Mass414.23
IUPAC Name2-benzyl-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]benzamide
SMILESCN1CCC(Oc2cccc(CNC(=O)c3ccccc3Cc3ccccc3)c2)CC1
InChIInChI=1S/C27H30N2O2/c1-29-16-14-24(15-17-29)31-25-12-7-10-22(19-25)20-28-27(30)26-13-6-5-11-23(26)18-21-8-3-2-4-9-21/h2-13,19,24H,14-18,20H2,1H3,(H,28,30)
InChIKeyNYBXEMBNRRWKFG-UHFFFAOYSA-N
XLogP4.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide
CID 55801218
5-(4-methylphenyl)-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]pyridine-2-carboxamide
CID 143500950
2-methyl-3-[3-(1-methylpiperidin-4-yl)oxyphenyl]propanoic acid
CID 117444550
N-[(3-methoxyphenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985796
N-benzyl-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxybenzamide
CID 42526081
2-benzyl-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 56552174
4-[[(2-benzylbenzoyl)amino]methyl]benzoic acid
CID 45426449
[3-(1-methylpiperidin-4-yl)oxyphenyl]methanamine;hydrochloride
CID 68965595
N-[[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]methyl]-4-phenoxybenzamide;hydrochloride
CID 73155028
1-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-3-phenylurea
CID 50875367
4-amino-N-benzyl-3-[4-(1-methylpiperidin-4-yl)oxybenzenecarboximidoyl]benzamide
CID 134567100
methyl 2-[(2-benzylbenzoyl)amino]acetate
CID 78800072

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]benzamide?
The IUPAC name of 2-benzyl-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]benzamide (CID 69193811) is 2-benzyl-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]benzamide.
What is the SMILES notation for 2-benzyl-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]benzamide?
The canonical SMILES for 2-benzyl-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]benzamide is CN1CCC(Oc2cccc(CNC(=O)c3ccccc3Cc3ccccc3)c2)CC1.
What is the InChIKey of 2-benzyl-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]benzamide?
The InChIKey is NYBXEMBNRRWKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O2/c1-29-16-14-24(15-17-29)31-25-12-7-10-22(19-25)20-28-27(30)26-13-6-5-11-23(26)18-21-8-3-2-4-9-21/h2-13,19,24H,14-18,20H2,1H3,(H,28,30).
What are the key properties of 2-benzyl-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]benzamide?
2-benzyl-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]benzamide has a molecular weight of 414.55 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]benzamide is sourced from PubChem (CID 69193811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).