4-ethoxy-3-methyl-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzamide

C23H30N2O2 — CID 133160362

IUPAC4-ethoxy-3-methyl-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzamide
SMILESCCOc1ccc(C(=O)NCc2ccc(N3CCCC(C)C3)cc2)cc1C
InChIInChI=1S/C23H30N2O2/c1-4-27-22-12-9-20(14-18(22)3)23(26)24-15-19-7-10-21(11-8-19)25-13-5-6-17(2)16-25/h7-12,14,17H,4-6,13,15-16H2,1-3H3,(H,24,26)
InChIKeyGLSLFVOPFUFNHI-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.56
Rot. Bonds6

About 4-ethoxy-3-methyl-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzamide

4-ethoxy-3-methyl-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzamide (PubChem CID 133160362) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 4-ethoxy-3-methyl-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-3-methyl-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzamide
PubChem CID133160362
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name4-ethoxy-3-methyl-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzamide
SMILESCCOc1ccc(C(=O)NCc2ccc(N3CCCC(C)C3)cc2)cc1C
InChIInChI=1S/C23H30N2O2/c1-4-27-22-12-9-20(14-18(22)3)23(26)24-15-19-7-10-21(11-8-19)25-13-5-6-17(2)16-25/h7-12,14,17H,4-6,13,15-16H2,1-3H3,(H,24,26)
InChIKeyGLSLFVOPFUFNHI-UHFFFAOYSA-N
XLogP4.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-3-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 100576325
4-methoxy-2-methyl-N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]-5-propan-2-ylbenzamide
CID 100716391
2-methyl-N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]-1,3-benzoxazole-6-carboxamide
CID 99933479
4-ethoxy-3-nitro-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 35614054
4-ethoxy-3-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide
CID 17248719
N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]cyclopropanecarboxamide
CID 100610781
methyl 4-methyl-3-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methylcarbamothioylamino]benzoate
CID 100724003
4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 92682170
1-[4-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide
CID 51124631
2-methyl-N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 98241753
N-(cyclohexen-1-ylmethyl)-4-ethoxy-3-methylbenzamide
CID 100542456
methyl 4-methyl-3-[[4-(3-methylpiperidin-1-yl)phenyl]methylsulfamoyl]benzoate
CID 132665048

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methyl-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzamide?
The IUPAC name of 4-ethoxy-3-methyl-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzamide (CID 133160362) is 4-ethoxy-3-methyl-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-ethoxy-3-methyl-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzamide?
The canonical SMILES for 4-ethoxy-3-methyl-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzamide is CCOc1ccc(C(=O)NCc2ccc(N3CCCC(C)C3)cc2)cc1C.
What is the InChIKey of 4-ethoxy-3-methyl-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzamide?
The InChIKey is GLSLFVOPFUFNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-4-27-22-12-9-20(14-18(22)3)23(26)24-15-19-7-10-21(11-8-19)25-13-5-6-17(2)16-25/h7-12,14,17H,4-6,13,15-16H2,1-3H3,(H,24,26).
What are the key properties of 4-ethoxy-3-methyl-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzamide?
4-ethoxy-3-methyl-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzamide has a molecular weight of 366.51 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methyl-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzamide is sourced from PubChem (CID 133160362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).