4-ethoxy-3-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide

C22H28N2O2 — CID 100576325

IUPAC4-ethoxy-3-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
SMILESCCOc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1C
InChIInChI=1S/C22H28N2O2/c1-3-26-21-12-9-19(15-17(21)2)22(25)23-16-18-7-10-20(11-8-18)24-13-5-4-6-14-24/h7-12,15H,3-6,13-14,16H2,1-2H3,(H,23,25)
InChIKeyLYBZJYFHKFKIQE-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.31
Rot. Bonds6

About 4-ethoxy-3-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide

4-ethoxy-3-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide (PubChem CID 100576325) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 4-ethoxy-3-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-3-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
PubChem CID100576325
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name4-ethoxy-3-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
SMILESCCOc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1C
InChIInChI=1S/C22H28N2O2/c1-3-26-21-12-9-19(15-17(21)2)22(25)23-16-18-7-10-20(11-8-18)24-13-5-4-6-14-24/h7-12,15H,3-6,13-14,16H2,1-2H3,(H,23,25)
InChIKeyLYBZJYFHKFKIQE-UHFFFAOYSA-N
XLogP4.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.31
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-(3-methylpiperidin-1-yl)phenyl]methyl]benzamide
CID 133160362
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-piperidin-1-ylphenyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100704007
N-(2,6-dipyrrolidin-1-ylphenyl)-4-ethoxy-3-methylbenzamide
CID 86938278
4-ethoxy-3-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide
CID 55735122
4-ethoxy-3-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 100524767
N-(cyclohexen-1-ylmethyl)-4-ethoxy-3-methylbenzamide
CID 100542456
4-(methoxymethyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 35613985
4-ethoxy-3-methyl-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]benzamide
CID 86938558
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 46486188
2-chloro-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridine-4-carboxamide
CID 35616071

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide?
The IUPAC name of 4-ethoxy-3-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide (CID 100576325) is 4-ethoxy-3-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide.
What is the SMILES notation for 4-ethoxy-3-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide?
The canonical SMILES for 4-ethoxy-3-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide is CCOc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1C.
What is the InChIKey of 4-ethoxy-3-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide?
The InChIKey is LYBZJYFHKFKIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-3-26-21-12-9-19(15-17(21)2)22(25)23-16-18-7-10-20(11-8-18)24-13-5-4-6-14-24/h7-12,15H,3-6,13-14,16H2,1-2H3,(H,23,25).
What are the key properties of 4-ethoxy-3-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide?
4-ethoxy-3-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide has a molecular weight of 352.48 g/mol, XLogP of 4.31, 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-piperidin-1-ylphenyl)methyl]benzamide is sourced from PubChem (CID 100576325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).