3-(4-ethylphenyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide

C23H28N2O2 — CID 49360216

IUPAC3-(4-ethylphenyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide
SMILESCCc1ccc(CCC(=O)Nc2cccc(CN3CCCCC3=O)c2)cc1
InChIInChI=1S/C23H28N2O2/c1-2-18-9-11-19(12-10-18)13-14-22(26)24-21-7-5-6-20(16-21)17-25-15-4-3-8-23(25)27/h5-7,9-12,16H,2-4,8,13-15,17H2,1H3,(H,24,26)
InChIKeyQTVOYORIMGZRNS-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.33
Rot. Bonds7

About 3-(4-ethylphenyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide

3-(4-ethylphenyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide (PubChem CID 49360216) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide.

Molecular Properties

Compound Name3-(4-ethylphenyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide
PubChem CID49360216
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name3-(4-ethylphenyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide
SMILESCCc1ccc(CCC(=O)Nc2cccc(CN3CCCCC3=O)c2)cc1
InChIInChI=1S/C23H28N2O2/c1-2-18-9-11-19(12-10-18)13-14-22(26)24-21-7-5-6-20(16-21)17-25-15-4-3-8-23(25)27/h5-7,9-12,16H,2-4,8,13-15,17H2,1H3,(H,24,26)
InChIKeyQTVOYORIMGZRNS-UHFFFAOYSA-N
XLogP4.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide
CID 49360462
N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]hexanamide
CID 37359459
1-[(3-ethylphenyl)methyl]piperidin-2-one
CID 70929088
3-[3-[[2-(2-oxopiperidin-1-yl)acetyl]amino]phenyl]propanoic acid
CID 120613759
1-(4-methylphenyl)-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea
CID 49470702
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide
CID 55911786
2-amino-2-methyl-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide;hydrochloride
CID 119309661
3-(4-ethylphenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 24601082
3-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]but-2-enamide
CID 30875155
N-[3-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 60755428
3-amino-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide
CID 119759695
N-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-(4-sulfamoylphenyl)propanamide
CID 46410718

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide?
The IUPAC name of 3-(4-ethylphenyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide (CID 49360216) is 3-(4-ethylphenyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide.
What is the SMILES notation for 3-(4-ethylphenyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide?
The canonical SMILES for 3-(4-ethylphenyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide is CCc1ccc(CCC(=O)Nc2cccc(CN3CCCCC3=O)c2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide?
The InChIKey is QTVOYORIMGZRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-2-18-9-11-19(12-10-18)13-14-22(26)24-21-7-5-6-20(16-21)17-25-15-4-3-8-23(25)27/h5-7,9-12,16H,2-4,8,13-15,17H2,1H3,(H,24,26).
What are the key properties of 3-(4-ethylphenyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide?
3-(4-ethylphenyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide has a molecular weight of 364.49 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide is sourced from PubChem (CID 49360216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).