4-[2-(ethylamino)-2-oxo-1-(2-piperidin-1-ylphenyl)ethyl]-N-methylbenzamide

C23H29N3O2 — CID 54482045

IUPAC4-[2-(ethylamino)-2-oxo-1-(2-piperidin-1-ylphenyl)ethyl]-N-methylbenzamide
SMILESCCNC(=O)C(c1ccc(C(=O)NC)cc1)c1ccccc1N1CCCCC1
InChIInChI=1S/C23H29N3O2/c1-3-25-23(28)21(17-11-13-18(14-12-17)22(27)24-2)19-9-5-6-10-20(19)26-15-7-4-8-16-26/h5-6,9-14,21H,3-4,7-8,15-16H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyXPRFBHHCUQYZKD-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.30
Rot. Bonds6

About 4-[2-(ethylamino)-2-oxo-1-(2-piperidin-1-ylphenyl)ethyl]-N-methylbenzamide

4-[2-(ethylamino)-2-oxo-1-(2-piperidin-1-ylphenyl)ethyl]-N-methylbenzamide (PubChem CID 54482045) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 4-[2-(ethylamino)-2-oxo-1-(2-piperidin-1-ylphenyl)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[2-(ethylamino)-2-oxo-1-(2-piperidin-1-ylphenyl)ethyl]-N-methylbenzamide
PubChem CID54482045
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name4-[2-(ethylamino)-2-oxo-1-(2-piperidin-1-ylphenyl)ethyl]-N-methylbenzamide
SMILESCCNC(=O)C(c1ccc(C(=O)NC)cc1)c1ccccc1N1CCCCC1
InChIInChI=1S/C23H29N3O2/c1-3-25-23(28)21(17-11-13-18(14-12-17)22(27)24-2)19-9-5-6-10-20(19)26-15-7-4-8-16-26/h5-6,9-14,21H,3-4,7-8,15-16H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyXPRFBHHCUQYZKD-UHFFFAOYSA-N
XLogP3.30
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

sodium 4-[2-(ethylamino)-2-oxo-1-(2-piperidin-1-ylphenyl)ethyl]benzoate
CID 70417455
N-butyl-4-[2-(ethylamino)-2-oxo-1-(2-piperidin-1-ylphenyl)ethyl]benzamide
CID 54471905
2-formyloxyethyl 4-[2-(ethylamino)-2-oxo-1-(2-piperidin-1-ylphenyl)ethyl]benzoate
CID 57192962
4-[1-(5-amino-2-piperidin-1-ylphenyl)-2-(ethylamino)-2-oxoethyl]benzoic acid
CID 54031071
4-[1-(5-acetamido-2-piperidin-1-ylphenyl)-2-(ethylamino)-2-oxoethyl]benzoic acid
CID 70417583
ethyl 2-phenyl-2-(2-piperidin-1-ylphenyl)acetate
CID 54107897
ethyl 4-[2-(ethylamino)-1-(5-iodo-2-piperidin-1-ylphenyl)-2-oxoethyl]benzoate
CID 54555579
N-methyl-4-[(2-piperidin-1-ylphenyl)sulfamoyl]benzamide
CID 17496437
1-[2-(azepan-1-yl)phenyl]-N-ethylpropan-1-amine
CID 112677754
3-phenyl-3-(2-piperidin-1-ylphenyl)propanamide
CID 140821391
(1R)-1-(2-piperidin-1-ylphenyl)propan-1-ol
CID 103959701
4-amino-3-(azocan-1-yl)-N-methylbenzamide
CID 63356679

Frequently Asked Questions

What is the IUPAC name of 4-[2-(ethylamino)-2-oxo-1-(2-piperidin-1-ylphenyl)ethyl]-N-methylbenzamide?
The IUPAC name of 4-[2-(ethylamino)-2-oxo-1-(2-piperidin-1-ylphenyl)ethyl]-N-methylbenzamide (CID 54482045) is 4-[2-(ethylamino)-2-oxo-1-(2-piperidin-1-ylphenyl)ethyl]-N-methylbenzamide.
What is the SMILES notation for 4-[2-(ethylamino)-2-oxo-1-(2-piperidin-1-ylphenyl)ethyl]-N-methylbenzamide?
The canonical SMILES for 4-[2-(ethylamino)-2-oxo-1-(2-piperidin-1-ylphenyl)ethyl]-N-methylbenzamide is CCNC(=O)C(c1ccc(C(=O)NC)cc1)c1ccccc1N1CCCCC1.
What is the InChIKey of 4-[2-(ethylamino)-2-oxo-1-(2-piperidin-1-ylphenyl)ethyl]-N-methylbenzamide?
The InChIKey is XPRFBHHCUQYZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-3-25-23(28)21(17-11-13-18(14-12-17)22(27)24-2)19-9-5-6-10-20(19)26-15-7-4-8-16-26/h5-6,9-14,21H,3-4,7-8,15-16H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 4-[2-(ethylamino)-2-oxo-1-(2-piperidin-1-ylphenyl)ethyl]-N-methylbenzamide?
4-[2-(ethylamino)-2-oxo-1-(2-piperidin-1-ylphenyl)ethyl]-N-methylbenzamide has a molecular weight of 379.50 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(ethylamino)-2-oxo-1-(2-piperidin-1-ylphenyl)ethyl]-N-methylbenzamide is sourced from PubChem (CID 54482045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).