4-[3-(2-aminophenoxy)propanoyl]-3-methylpiperazin-2-one

C14H19N3O3 — CID 63595747

IUPAC4-[3-(2-aminophenoxy)propanoyl]-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1C(=O)CCOc1ccccc1N
InChIInChI=1S/C14H19N3O3/c1-10-14(19)16-7-8-17(10)13(18)6-9-20-12-5-3-2-4-11(12)15/h2-5,10H,6-9,15H2,1H3,(H,16,19)
InChIKeyXKNIWNXPDMSAAW-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.38
Rot. Bonds4

About 4-[3-(2-aminophenoxy)propanoyl]-3-methylpiperazin-2-one

4-[3-(2-aminophenoxy)propanoyl]-3-methylpiperazin-2-one (PubChem CID 63595747) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-[3-(2-aminophenoxy)propanoyl]-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[3-(2-aminophenoxy)propanoyl]-3-methylpiperazin-2-one
PubChem CID63595747
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name4-[3-(2-aminophenoxy)propanoyl]-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1C(=O)CCOc1ccccc1N
InChIInChI=1S/C14H19N3O3/c1-10-14(19)16-7-8-17(10)13(18)6-9-20-12-5-3-2-4-11(12)15/h2-5,10H,6-9,15H2,1H3,(H,16,19)
InChIKeyXKNIWNXPDMSAAW-UHFFFAOYSA-N
XLogP0.38
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-aminophenoxy)propanoyl]-3-methylpiperazin-2-one?
The IUPAC name of 4-[3-(2-aminophenoxy)propanoyl]-3-methylpiperazin-2-one (CID 63595747) is 4-[3-(2-aminophenoxy)propanoyl]-3-methylpiperazin-2-one.
What is the SMILES notation for 4-[3-(2-aminophenoxy)propanoyl]-3-methylpiperazin-2-one?
The canonical SMILES for 4-[3-(2-aminophenoxy)propanoyl]-3-methylpiperazin-2-one is CC1C(=O)NCCN1C(=O)CCOc1ccccc1N.
What is the InChIKey of 4-[3-(2-aminophenoxy)propanoyl]-3-methylpiperazin-2-one?
The InChIKey is XKNIWNXPDMSAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-10-14(19)16-7-8-17(10)13(18)6-9-20-12-5-3-2-4-11(12)15/h2-5,10H,6-9,15H2,1H3,(H,16,19).
What are the key properties of 4-[3-(2-aminophenoxy)propanoyl]-3-methylpiperazin-2-one?
4-[3-(2-aminophenoxy)propanoyl]-3-methylpiperazin-2-one has a molecular weight of 277.32 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-aminophenoxy)propanoyl]-3-methylpiperazin-2-one is sourced from PubChem (CID 63595747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).