(6R)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-6-(pyridin-3-ylmethoxymethyl)piperazin-2-one

C28H33N3O5 — CID 11375292

IUPAC(6R)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-6-(pyridin-3-ylmethoxymethyl)piperazin-2-one
SMILESCOc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COCc2cccnc2)cc1
InChIInChI=1S/C28H33N3O5/c1-33-27-8-3-2-7-23(27)20-34-14-5-15-36-26-11-9-24(10-12-26)31-25(17-30-18-28(31)32)21-35-19-22-6-4-13-29-16-22/h2-4,6-13,16,25,30H,5,14-15,17-21H2,1H3/t25-/m1/s1
InChIKeyWPYDZJMOARSIDS-RUZDIDTESA-N
MW491.59 g/mol
LogP3.60
Rot. Bonds13

About (6R)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-6-(pyridin-3-ylmethoxymethyl)piperazin-2-one

(6R)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-6-(pyridin-3-ylmethoxymethyl)piperazin-2-one (PubChem CID 11375292) has the molecular formula C28H33N3O5 and a molecular weight of 491.59 g/mol. Its IUPAC name is (6R)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-6-(pyridin-3-ylmethoxymethyl)piperazin-2-one.

Molecular Properties

Compound Name(6R)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-6-(pyridin-3-ylmethoxymethyl)piperazin-2-one
PubChem CID11375292
Molecular FormulaC28H33N3O5
Molecular Weight491.59 g/mol
Exact Mass491.24
IUPAC Name(6R)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-6-(pyridin-3-ylmethoxymethyl)piperazin-2-one
SMILESCOc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COCc2cccnc2)cc1
InChIInChI=1S/C28H33N3O5/c1-33-27-8-3-2-7-23(27)20-34-14-5-15-36-26-11-9-24(10-12-26)31-25(17-30-18-28(31)32)21-35-19-22-6-4-13-29-16-22/h2-4,6-13,16,25,30H,5,14-15,17-21H2,1H3/t25-/m1/s1
InChIKeyWPYDZJMOARSIDS-RUZDIDTESA-N
XLogP3.60
TPSA82.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.59
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6R)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-6-(pyridin-3-ylmethoxymethyl)piperazin-2-one?
The IUPAC name of (6R)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-6-(pyridin-3-ylmethoxymethyl)piperazin-2-one (CID 11375292) is (6R)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-6-(pyridin-3-ylmethoxymethyl)piperazin-2-one.
What is the SMILES notation for (6R)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-6-(pyridin-3-ylmethoxymethyl)piperazin-2-one?
The canonical SMILES for (6R)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-6-(pyridin-3-ylmethoxymethyl)piperazin-2-one is COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COCc2cccnc2)cc1.
What is the InChIKey of (6R)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-6-(pyridin-3-ylmethoxymethyl)piperazin-2-one?
The InChIKey is WPYDZJMOARSIDS-RUZDIDTESA-N. The full InChI is InChI=1S/C28H33N3O5/c1-33-27-8-3-2-7-23(27)20-34-14-5-15-36-26-11-9-24(10-12-26)31-25(17-30-18-28(31)32)21-35-19-22-6-4-13-29-16-22/h2-4,6-13,16,25,30H,5,14-15,17-21H2,1H3/t25-/m1/s1.
What are the key properties of (6R)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-6-(pyridin-3-ylmethoxymethyl)piperazin-2-one?
(6R)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-6-(pyridin-3-ylmethoxymethyl)piperazin-2-one has a molecular weight of 491.59 g/mol, XLogP of 3.60, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-6-(pyridin-3-ylmethoxymethyl)piperazin-2-one is sourced from PubChem (CID 11375292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).