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

C32H34N2O5 — CID 11214666

IUPAC(6R)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-6-(naphthalen-2-yloxymethyl)piperazin-2-one
SMILESCOc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COc2ccc3ccccc3c2)cc1
InChIInChI=1S/C32H34N2O5/c1-36-31-10-5-4-9-26(31)22-37-17-6-18-38-29-15-12-27(13-16-29)34-28(20-33-21-32(34)35)23-39-30-14-11-24-7-2-3-8-25(24)19-30/h2-5,7-16,19,28,33H,6,17-18,20-23H2,1H3/t28-/m1/s1
InChIKeyYNZFVUGNLOWSTD-MUUNZHRXSA-N
MW526.63 g/mol
LogP5.22
Rot. Bonds12

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

(6R)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-6-(naphthalen-2-yloxymethyl)piperazin-2-one (PubChem CID 11214666) has the molecular formula C32H34N2O5 and a molecular weight of 526.63 g/mol. Its IUPAC name is (6R)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-6-(naphthalen-2-yloxymethyl)piperazin-2-one.

Molecular Properties

Compound Name(6R)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-6-(naphthalen-2-yloxymethyl)piperazin-2-one
PubChem CID11214666
Molecular FormulaC32H34N2O5
Molecular Weight526.63 g/mol
Exact Mass526.25
IUPAC Name(6R)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-6-(naphthalen-2-yloxymethyl)piperazin-2-one
SMILESCOc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COc2ccc3ccccc3c2)cc1
InChIInChI=1S/C32H34N2O5/c1-36-31-10-5-4-9-26(31)22-37-17-6-18-38-29-15-12-27(13-16-29)34-28(20-33-21-32(34)35)23-39-30-14-11-24-7-2-3-8-25(24)19-30/h2-5,7-16,19,28,33H,6,17-18,20-23H2,1H3/t28-/m1/s1
InChIKeyYNZFVUGNLOWSTD-MUUNZHRXSA-N
XLogP5.22
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.63
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(naphthalen-2-yloxymethyl)piperazin-2-one?
The IUPAC name of (6R)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-6-(naphthalen-2-yloxymethyl)piperazin-2-one (CID 11214666) is (6R)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-6-(naphthalen-2-yloxymethyl)piperazin-2-one.
What is the SMILES notation for (6R)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-6-(naphthalen-2-yloxymethyl)piperazin-2-one?
The canonical SMILES for (6R)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-6-(naphthalen-2-yloxymethyl)piperazin-2-one is COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COc2ccc3ccccc3c2)cc1.
What is the InChIKey of (6R)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-6-(naphthalen-2-yloxymethyl)piperazin-2-one?
The InChIKey is YNZFVUGNLOWSTD-MUUNZHRXSA-N. The full InChI is InChI=1S/C32H34N2O5/c1-36-31-10-5-4-9-26(31)22-37-17-6-18-38-29-15-12-27(13-16-29)34-28(20-33-21-32(34)35)23-39-30-14-11-24-7-2-3-8-25(24)19-30/h2-5,7-16,19,28,33H,6,17-18,20-23H2,1H3/t28-/m1/s1.
What are the key properties of (6R)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-6-(naphthalen-2-yloxymethyl)piperazin-2-one?
(6R)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-6-(naphthalen-2-yloxymethyl)piperazin-2-one has a molecular weight of 526.63 g/mol, XLogP of 5.22, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-6-(naphthalen-2-yloxymethyl)piperazin-2-one is sourced from PubChem (CID 11214666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).