4-[2-(oxan-2-ylmethoxy)propanoyl]-3-phenylpiperazin-2-one

C19H26N2O4 — CID 122132514

IUPAC4-[2-(oxan-2-ylmethoxy)propanoyl]-3-phenylpiperazin-2-one
SMILESCC(OCC1CCCCO1)C(=O)N1CCNC(=O)C1c1ccccc1
InChIInChI=1S/C19H26N2O4/c1-14(25-13-16-9-5-6-12-24-16)19(23)21-11-10-20-18(22)17(21)15-7-3-2-4-8-15/h2-4,7-8,14,16-17H,5-6,9-13H2,1H3,(H,20,22)
InChIKeyIZCPUIDQEHPYBR-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.66
Rot. Bonds5

About 4-[2-(oxan-2-ylmethoxy)propanoyl]-3-phenylpiperazin-2-one

4-[2-(oxan-2-ylmethoxy)propanoyl]-3-phenylpiperazin-2-one (PubChem CID 122132514) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-[2-(oxan-2-ylmethoxy)propanoyl]-3-phenylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(oxan-2-ylmethoxy)propanoyl]-3-phenylpiperazin-2-one
PubChem CID122132514
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name4-[2-(oxan-2-ylmethoxy)propanoyl]-3-phenylpiperazin-2-one
SMILESCC(OCC1CCCCO1)C(=O)N1CCNC(=O)C1c1ccccc1
InChIInChI=1S/C19H26N2O4/c1-14(25-13-16-9-5-6-12-24-16)19(23)21-11-10-20-18(22)17(21)15-7-3-2-4-8-15/h2-4,7-8,14,16-17H,5-6,9-13H2,1H3,(H,20,22)
InChIKeyIZCPUIDQEHPYBR-UHFFFAOYSA-N
XLogP1.66
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(oxan-2-ylmethoxy)propanoyl]-3-phenylpiperazin-2-one?
The IUPAC name of 4-[2-(oxan-2-ylmethoxy)propanoyl]-3-phenylpiperazin-2-one (CID 122132514) is 4-[2-(oxan-2-ylmethoxy)propanoyl]-3-phenylpiperazin-2-one.
What is the SMILES notation for 4-[2-(oxan-2-ylmethoxy)propanoyl]-3-phenylpiperazin-2-one?
The canonical SMILES for 4-[2-(oxan-2-ylmethoxy)propanoyl]-3-phenylpiperazin-2-one is CC(OCC1CCCCO1)C(=O)N1CCNC(=O)C1c1ccccc1.
What is the InChIKey of 4-[2-(oxan-2-ylmethoxy)propanoyl]-3-phenylpiperazin-2-one?
The InChIKey is IZCPUIDQEHPYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-14(25-13-16-9-5-6-12-24-16)19(23)21-11-10-20-18(22)17(21)15-7-3-2-4-8-15/h2-4,7-8,14,16-17H,5-6,9-13H2,1H3,(H,20,22).
What are the key properties of 4-[2-(oxan-2-ylmethoxy)propanoyl]-3-phenylpiperazin-2-one?
4-[2-(oxan-2-ylmethoxy)propanoyl]-3-phenylpiperazin-2-one has a molecular weight of 346.43 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(oxan-2-ylmethoxy)propanoyl]-3-phenylpiperazin-2-one is sourced from PubChem (CID 122132514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).