N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3,4-dimethoxy-5-prop-2-enylbenzamide

C26H32N2O4 — CID 55677135

IUPACN-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)Nc2ccccc2C(=O)N2CC(C)CC(C)C2)cc(OC)c1OC
InChIInChI=1S/C26H32N2O4/c1-6-9-19-13-20(14-23(31-4)24(19)32-5)25(29)27-22-11-8-7-10-21(22)26(30)28-15-17(2)12-18(3)16-28/h6-8,10-11,13-14,17-18H,1,9,12,15-16H2,2-5H3,(H,27,29)
InChIKeyLRHQZDNVFRCDLG-UHFFFAOYSA-N
MW436.55 g/mol
LogP4.80
Rot. Bonds7

About N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3,4-dimethoxy-5-prop-2-enylbenzamide

N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3,4-dimethoxy-5-prop-2-enylbenzamide (PubChem CID 55677135) has the molecular formula C26H32N2O4 and a molecular weight of 436.55 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3,4-dimethoxy-5-prop-2-enylbenzamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
PubChem CID55677135
Molecular FormulaC26H32N2O4
Molecular Weight436.55 g/mol
Exact Mass436.24
IUPAC NameN-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)Nc2ccccc2C(=O)N2CC(C)CC(C)C2)cc(OC)c1OC
InChIInChI=1S/C26H32N2O4/c1-6-9-19-13-20(14-23(31-4)24(19)32-5)25(29)27-22-11-8-7-10-21(22)26(30)28-15-17(2)12-18(3)16-28/h6-8,10-11,13-14,17-18H,1,9,12,15-16H2,2-5H3,(H,27,29)
InChIKeyLRHQZDNVFRCDLG-UHFFFAOYSA-N
XLogP4.80
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-amino-2-oxoethoxy)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3,5-dimethoxybenzamide
CID 55677040
N-(2-acetylphenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 31842136
3,4-dimethoxy-5-prop-2-enyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 35359192
N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-3,4,5-trimethoxybenzamide
CID 42944718
N-(2-bromophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 31841522
N-(2-fluorophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 17413361
N-[2-(azepane-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide
CID 4937859
3,4,5-trimethoxy-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 3163319
N-[2-(ethylaminomethyl)phenyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 119440133
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 46442928
3,4,5-trimethoxy-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]benzamide
CID 7258591
N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 51942835

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3,4-dimethoxy-5-prop-2-enylbenzamide?
The IUPAC name of N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3,4-dimethoxy-5-prop-2-enylbenzamide (CID 55677135) is N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3,4-dimethoxy-5-prop-2-enylbenzamide.
What is the SMILES notation for N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3,4-dimethoxy-5-prop-2-enylbenzamide?
The canonical SMILES for N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3,4-dimethoxy-5-prop-2-enylbenzamide is C=CCc1cc(C(=O)Nc2ccccc2C(=O)N2CC(C)CC(C)C2)cc(OC)c1OC.
What is the InChIKey of N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3,4-dimethoxy-5-prop-2-enylbenzamide?
The InChIKey is LRHQZDNVFRCDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O4/c1-6-9-19-13-20(14-23(31-4)24(19)32-5)25(29)27-22-11-8-7-10-21(22)26(30)28-15-17(2)12-18(3)16-28/h6-8,10-11,13-14,17-18H,1,9,12,15-16H2,2-5H3,(H,27,29).
What are the key properties of N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3,4-dimethoxy-5-prop-2-enylbenzamide?
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3,4-dimethoxy-5-prop-2-enylbenzamide has a molecular weight of 436.55 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3,4-dimethoxy-5-prop-2-enylbenzamide is sourced from PubChem (CID 55677135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).