1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide

C20H28N4O4 — CID 24819652

IUPAC1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide
SMILESCOc1ccc(CCN2CC(C(=O)NCCN3CCNC3=O)CCC2=O)cc1
InChIInChI=1S/C20H28N4O4/c1-28-17-5-2-15(3-6-17)8-11-24-14-16(4-7-18(24)25)19(26)21-9-12-23-13-10-22-20(23)27/h2-3,5-6,16H,4,7-14H2,1H3,(H,21,26)(H,22,27)
InChIKeyUSYMVJQAHJAUHT-UHFFFAOYSA-N
MW388.47 g/mol
LogP0.62
Rot. Bonds8

About 1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide

1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide (PubChem CID 24819652) has the molecular formula C20H28N4O4 and a molecular weight of 388.47 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide
PubChem CID24819652
Molecular FormulaC20H28N4O4
Molecular Weight388.47 g/mol
Exact Mass388.21
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide
SMILESCOc1ccc(CCN2CC(C(=O)NCCN3CCNC3=O)CCC2=O)cc1
InChIInChI=1S/C20H28N4O4/c1-28-17-5-2-15(3-6-17)8-11-24-14-16(4-7-18(24)25)19(26)21-9-12-23-13-10-22-20(23)27/h2-3,5-6,16H,4,7-14H2,1H3,(H,21,26)(H,22,27)
InChIKeyUSYMVJQAHJAUHT-UHFFFAOYSA-N
XLogP0.62
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide (CID 24819652) is 1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide is COc1ccc(CCN2CC(C(=O)NCCN3CCNC3=O)CCC2=O)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is USYMVJQAHJAUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4/c1-28-17-5-2-15(3-6-17)8-11-24-14-16(4-7-18(24)25)19(26)21-9-12-23-13-10-22-20(23)27/h2-3,5-6,16H,4,7-14H2,1H3,(H,21,26)(H,22,27).
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide?
1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 0.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 24819652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).