methyl 6-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]naphthalene-2-carboxylate

C22H27N3O3 — CID 70074486

IUPACmethyl 6-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2cc(N3CCN(CCC4CCNCC4)C3=O)ccc2c1
InChIInChI=1S/C22H27N3O3/c1-28-21(26)19-3-2-18-15-20(5-4-17(18)14-19)25-13-12-24(22(25)27)11-8-16-6-9-23-10-7-16/h2-5,14-16,23H,6-13H2,1H3
InChIKeyOFEKCMNGNMYSSK-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.26
Rot. Bonds5

About methyl 6-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]naphthalene-2-carboxylate

methyl 6-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]naphthalene-2-carboxylate (PubChem CID 70074486) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is methyl 6-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]naphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]naphthalene-2-carboxylate
PubChem CID70074486
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Namemethyl 6-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2cc(N3CCN(CCC4CCNCC4)C3=O)ccc2c1
InChIInChI=1S/C22H27N3O3/c1-28-21(26)19-3-2-18-15-20(5-4-17(18)14-19)25-13-12-24(22(25)27)11-8-16-6-9-23-10-7-16/h2-5,14-16,23H,6-13H2,1H3
InChIKeyOFEKCMNGNMYSSK-UHFFFAOYSA-N
XLogP3.26
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]naphthalene-2-carboxylate?
The IUPAC name of methyl 6-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]naphthalene-2-carboxylate (CID 70074486) is methyl 6-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]naphthalene-2-carboxylate.
What is the SMILES notation for methyl 6-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]naphthalene-2-carboxylate?
The canonical SMILES for methyl 6-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]naphthalene-2-carboxylate is COC(=O)c1ccc2cc(N3CCN(CCC4CCNCC4)C3=O)ccc2c1.
What is the InChIKey of methyl 6-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]naphthalene-2-carboxylate?
The InChIKey is OFEKCMNGNMYSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-28-21(26)19-3-2-18-15-20(5-4-17(18)14-19)25-13-12-24(22(25)27)11-8-16-6-9-23-10-7-16/h2-5,14-16,23H,6-13H2,1H3.
What are the key properties of methyl 6-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]naphthalene-2-carboxylate?
methyl 6-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]naphthalene-2-carboxylate has a molecular weight of 381.48 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]naphthalene-2-carboxylate is sourced from PubChem (CID 70074486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).