N-(4-piperidin-1-ylphenyl)-4-prop-2-enoxybenzamide

C21H24N2O2 — CID 39693235

IUPACN-(4-piperidin-1-ylphenyl)-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1
InChIInChI=1S/C21H24N2O2/c1-2-16-25-20-12-6-17(7-13-20)21(24)22-18-8-10-19(11-9-18)23-14-4-3-5-15-23/h2,6-13H,1,3-5,14-16H2,(H,22,24)
InChIKeyZDWIVVKAQZUXIX-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.49
Rot. Bonds6

About N-(4-piperidin-1-ylphenyl)-4-prop-2-enoxybenzamide

N-(4-piperidin-1-ylphenyl)-4-prop-2-enoxybenzamide (PubChem CID 39693235) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-(4-piperidin-1-ylphenyl)-4-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-(4-piperidin-1-ylphenyl)-4-prop-2-enoxybenzamide
PubChem CID39693235
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-(4-piperidin-1-ylphenyl)-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1
InChIInChI=1S/C21H24N2O2/c1-2-16-25-20-12-6-17(7-13-20)21(24)22-18-8-10-19(11-9-18)23-14-4-3-5-15-23/h2,6-13H,1,3-5,14-16H2,(H,22,24)
InChIKeyZDWIVVKAQZUXIX-UHFFFAOYSA-N
XLogP4.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-butoxy-N-(4-piperidin-1-ylphenyl)benzamide
CID 2269315
N-(4-prop-2-enoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 100681564
4-phenoxy-N-(4-piperidin-1-ylphenyl)benzamide
CID 7922461
N-(4-iodophenyl)-4-prop-2-enoxybenzamide
CID 4945151
4-methyl-N-(4-prop-2-enoxyphenyl)benzamide
CID 4952484
N-(4-piperidin-1-ylphenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 17473471
4-(difluoromethoxy)-N-(4-piperidin-1-ylphenyl)benzamide
CID 3928894
N-[4-(2-methoxyethoxy)phenyl]-4-prop-2-enoxybenzamide
CID 17340476
4-morpholin-4-yl-N-(3-prop-2-enoxyphenyl)benzamide
CID 21367147
N-phenyl-4-piperidin-1-ylbenzamide
CID 53282261
N-(4-ethylphenyl)-4-piperidin-1-ylbenzamide
CID 53282362
N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-4-prop-2-enoxybenzamide
CID 39940708

Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-1-ylphenyl)-4-prop-2-enoxybenzamide?
The IUPAC name of N-(4-piperidin-1-ylphenyl)-4-prop-2-enoxybenzamide (CID 39693235) is N-(4-piperidin-1-ylphenyl)-4-prop-2-enoxybenzamide.
What is the SMILES notation for N-(4-piperidin-1-ylphenyl)-4-prop-2-enoxybenzamide?
The canonical SMILES for N-(4-piperidin-1-ylphenyl)-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1.
What is the InChIKey of N-(4-piperidin-1-ylphenyl)-4-prop-2-enoxybenzamide?
The InChIKey is ZDWIVVKAQZUXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-2-16-25-20-12-6-17(7-13-20)21(24)22-18-8-10-19(11-9-18)23-14-4-3-5-15-23/h2,6-13H,1,3-5,14-16H2,(H,22,24).
What are the key properties of N-(4-piperidin-1-ylphenyl)-4-prop-2-enoxybenzamide?
N-(4-piperidin-1-ylphenyl)-4-prop-2-enoxybenzamide has a molecular weight of 336.44 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-1-ylphenyl)-4-prop-2-enoxybenzamide is sourced from PubChem (CID 39693235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).