ethyl 3-[4-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]phenyl]propanoate

C21H31N3O3 — CID 21480742

IUPACethyl 3-[4-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]phenyl]propanoate
SMILESCCOC(=O)CCc1ccc(N2CCN(CCC3CCNCC3)C2=O)cc1
InChIInChI=1S/C21H31N3O3/c1-2-27-20(25)8-5-17-3-6-19(7-4-17)24-16-15-23(21(24)26)14-11-18-9-12-22-13-10-18/h3-4,6-7,18,22H,2,5,8-16H2,1H3
InChIKeyRRWNXIOQBMFWLU-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.81
Rot. Bonds8

About ethyl 3-[4-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]phenyl]propanoate

ethyl 3-[4-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]phenyl]propanoate (PubChem CID 21480742) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is ethyl 3-[4-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]phenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[4-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]phenyl]propanoate
PubChem CID21480742
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Nameethyl 3-[4-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]phenyl]propanoate
SMILESCCOC(=O)CCc1ccc(N2CCN(CCC3CCNCC3)C2=O)cc1
InChIInChI=1S/C21H31N3O3/c1-2-27-20(25)8-5-17-3-6-19(7-4-17)24-16-15-23(21(24)26)14-11-18-9-12-22-13-10-18/h3-4,6-7,18,22H,2,5,8-16H2,1H3
InChIKeyRRWNXIOQBMFWLU-UHFFFAOYSA-N
XLogP2.81
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]phenyl]propanoate?
The IUPAC name of ethyl 3-[4-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]phenyl]propanoate (CID 21480742) is ethyl 3-[4-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]phenyl]propanoate.
What is the SMILES notation for ethyl 3-[4-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]phenyl]propanoate?
The canonical SMILES for ethyl 3-[4-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]phenyl]propanoate is CCOC(=O)CCc1ccc(N2CCN(CCC3CCNCC3)C2=O)cc1.
What is the InChIKey of ethyl 3-[4-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]phenyl]propanoate?
The InChIKey is RRWNXIOQBMFWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-2-27-20(25)8-5-17-3-6-19(7-4-17)24-16-15-23(21(24)26)14-11-18-9-12-22-13-10-18/h3-4,6-7,18,22H,2,5,8-16H2,1H3.
What are the key properties of ethyl 3-[4-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]phenyl]propanoate?
ethyl 3-[4-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]phenyl]propanoate has a molecular weight of 373.50 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]phenyl]propanoate is sourced from PubChem (CID 21480742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).