4-[(4-methylpiperidin-1-yl)methyl]-N-(3-prop-2-enoxyphenyl)benzamide

C23H28N2O2 — CID 38098647

IUPAC4-[(4-methylpiperidin-1-yl)methyl]-N-(3-prop-2-enoxyphenyl)benzamide
SMILESC=CCOc1cccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c1
InChIInChI=1S/C23H28N2O2/c1-3-15-27-22-6-4-5-21(16-22)24-23(26)20-9-7-19(8-10-20)17-25-13-11-18(2)12-14-25/h3-10,16,18H,1,11-15,17H2,2H3,(H,24,26)
InChIKeyWOYBAHBPAHADPW-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.74
Rot. Bonds7

About 4-[(4-methylpiperidin-1-yl)methyl]-N-(3-prop-2-enoxyphenyl)benzamide

4-[(4-methylpiperidin-1-yl)methyl]-N-(3-prop-2-enoxyphenyl)benzamide (PubChem CID 38098647) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 4-[(4-methylpiperidin-1-yl)methyl]-N-(3-prop-2-enoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[(4-methylpiperidin-1-yl)methyl]-N-(3-prop-2-enoxyphenyl)benzamide
PubChem CID38098647
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name4-[(4-methylpiperidin-1-yl)methyl]-N-(3-prop-2-enoxyphenyl)benzamide
SMILESC=CCOc1cccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c1
InChIInChI=1S/C23H28N2O2/c1-3-15-27-22-6-4-5-21(16-22)24-23(26)20-9-7-19(8-10-20)17-25-13-11-18(2)12-14-25/h3-10,16,18H,1,11-15,17H2,2H3,(H,24,26)
InChIKeyWOYBAHBPAHADPW-UHFFFAOYSA-N
XLogP4.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzamide
CID 53283593
4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoic acid
CID 46772046
4-[(4-benzylpiperazin-1-yl)methyl]-N-(3-methoxyphenyl)benzamide
CID 1362665
dimethyl 5-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzene-1,3-dicarboxylate
CID 92676048
4-morpholin-4-yl-N-(3-prop-2-enoxyphenyl)benzamide
CID 21367147
4-chloro-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide
CID 108760627
3-ethoxy-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086754
N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-4-(2-methylpropoxy)benzamide
CID 108737738
4-methylsulfinyl-N-(3-prop-2-enoxyphenyl)benzamide
CID 86835440
N-(4-bromophenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43919557
4-(2-methylpropoxy)-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086729
4-phenylmethoxy-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086755

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylpiperidin-1-yl)methyl]-N-(3-prop-2-enoxyphenyl)benzamide?
The IUPAC name of 4-[(4-methylpiperidin-1-yl)methyl]-N-(3-prop-2-enoxyphenyl)benzamide (CID 38098647) is 4-[(4-methylpiperidin-1-yl)methyl]-N-(3-prop-2-enoxyphenyl)benzamide.
What is the SMILES notation for 4-[(4-methylpiperidin-1-yl)methyl]-N-(3-prop-2-enoxyphenyl)benzamide?
The canonical SMILES for 4-[(4-methylpiperidin-1-yl)methyl]-N-(3-prop-2-enoxyphenyl)benzamide is C=CCOc1cccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c1.
What is the InChIKey of 4-[(4-methylpiperidin-1-yl)methyl]-N-(3-prop-2-enoxyphenyl)benzamide?
The InChIKey is WOYBAHBPAHADPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-3-15-27-22-6-4-5-21(16-22)24-23(26)20-9-7-19(8-10-20)17-25-13-11-18(2)12-14-25/h3-10,16,18H,1,11-15,17H2,2H3,(H,24,26).
What are the key properties of 4-[(4-methylpiperidin-1-yl)methyl]-N-(3-prop-2-enoxyphenyl)benzamide?
4-[(4-methylpiperidin-1-yl)methyl]-N-(3-prop-2-enoxyphenyl)benzamide has a molecular weight of 364.49 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylpiperidin-1-yl)methyl]-N-(3-prop-2-enoxyphenyl)benzamide is sourced from PubChem (CID 38098647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).