2-(4-chlorophenyl)-N-[2-oxo-2-[(2-oxo-2-piperidin-1-ylethyl)amino]ethyl]acetamide

C17H22ClN3O3 — CID 2989621

IUPAC2-(4-chlorophenyl)-N-[2-oxo-2-[(2-oxo-2-piperidin-1-ylethyl)amino]ethyl]acetamide
SMILESO=C(CNC(=O)Cc1ccc(Cl)cc1)NCC(=O)N1CCCCC1
InChIInChI=1S/C17H22ClN3O3/c18-14-6-4-13(5-7-14)10-15(22)19-11-16(23)20-12-17(24)21-8-2-1-3-9-21/h4-7H,1-3,8-12H2,(H,19,22)(H,20,23)
InChIKeyBJIYTYRTLDMTBW-UHFFFAOYSA-N
MW351.83 g/mol
LogP1.13
Rot. Bonds6

About 2-(4-chlorophenyl)-N-[2-oxo-2-[(2-oxo-2-piperidin-1-ylethyl)amino]ethyl]acetamide

2-(4-chlorophenyl)-N-[2-oxo-2-[(2-oxo-2-piperidin-1-ylethyl)amino]ethyl]acetamide (PubChem CID 2989621) has the molecular formula C17H22ClN3O3 and a molecular weight of 351.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-oxo-2-[(2-oxo-2-piperidin-1-ylethyl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-oxo-2-[(2-oxo-2-piperidin-1-ylethyl)amino]ethyl]acetamide
PubChem CID2989621
Molecular FormulaC17H22ClN3O3
Molecular Weight351.83 g/mol
Exact Mass351.13
IUPAC Name2-(4-chlorophenyl)-N-[2-oxo-2-[(2-oxo-2-piperidin-1-ylethyl)amino]ethyl]acetamide
SMILESO=C(CNC(=O)Cc1ccc(Cl)cc1)NCC(=O)N1CCCCC1
InChIInChI=1S/C17H22ClN3O3/c18-14-6-4-13(5-7-14)10-15(22)19-11-16(23)20-12-17(24)21-8-2-1-3-9-21/h4-7H,1-3,8-12H2,(H,19,22)(H,20,23)
InChIKeyBJIYTYRTLDMTBW-UHFFFAOYSA-N
XLogP1.13
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-oxo-2-[(2-oxo-2-piperidin-1-ylethyl)amino]ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-oxo-2-[(2-oxo-2-piperidin-1-ylethyl)amino]ethyl]acetamide (CID 2989621) is 2-(4-chlorophenyl)-N-[2-oxo-2-[(2-oxo-2-piperidin-1-ylethyl)amino]ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-oxo-2-[(2-oxo-2-piperidin-1-ylethyl)amino]ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-oxo-2-[(2-oxo-2-piperidin-1-ylethyl)amino]ethyl]acetamide is O=C(CNC(=O)Cc1ccc(Cl)cc1)NCC(=O)N1CCCCC1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-oxo-2-[(2-oxo-2-piperidin-1-ylethyl)amino]ethyl]acetamide?
The InChIKey is BJIYTYRTLDMTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O3/c18-14-6-4-13(5-7-14)10-15(22)19-11-16(23)20-12-17(24)21-8-2-1-3-9-21/h4-7H,1-3,8-12H2,(H,19,22)(H,20,23).
What are the key properties of 2-(4-chlorophenyl)-N-[2-oxo-2-[(2-oxo-2-piperidin-1-ylethyl)amino]ethyl]acetamide?
2-(4-chlorophenyl)-N-[2-oxo-2-[(2-oxo-2-piperidin-1-ylethyl)amino]ethyl]acetamide has a molecular weight of 351.83 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-oxo-2-[(2-oxo-2-piperidin-1-ylethyl)amino]ethyl]acetamide is sourced from PubChem (CID 2989621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).