2-[1-[(5-methylfuran-2-yl)methyl]-3-oxo-4-propylpiperazin-2-yl]acetic acid

C15H22N2O4 — CID 110284244

IUPAC2-[1-[(5-methylfuran-2-yl)methyl]-3-oxo-4-propylpiperazin-2-yl]acetic acid
SMILESCCCN1CCN(Cc2ccc(C)o2)C(CC(=O)O)C1=O
InChIInChI=1S/C15H22N2O4/c1-3-6-16-7-8-17(10-12-5-4-11(2)21-12)13(15(16)20)9-14(18)19/h4-5,13H,3,6-10H2,1-2H3,(H,18,19)
InChIKeyUUDPKVAAVSCTBA-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.49
Rot. Bonds6

About 2-[1-[(5-methylfuran-2-yl)methyl]-3-oxo-4-propylpiperazin-2-yl]acetic acid

2-[1-[(5-methylfuran-2-yl)methyl]-3-oxo-4-propylpiperazin-2-yl]acetic acid (PubChem CID 110284244) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[1-[(5-methylfuran-2-yl)methyl]-3-oxo-4-propylpiperazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(5-methylfuran-2-yl)methyl]-3-oxo-4-propylpiperazin-2-yl]acetic acid
PubChem CID110284244
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-[1-[(5-methylfuran-2-yl)methyl]-3-oxo-4-propylpiperazin-2-yl]acetic acid
SMILESCCCN1CCN(Cc2ccc(C)o2)C(CC(=O)O)C1=O
InChIInChI=1S/C15H22N2O4/c1-3-6-16-7-8-17(10-12-5-4-11(2)21-12)13(15(16)20)9-14(18)19/h4-5,13H,3,6-10H2,1-2H3,(H,18,19)
InChIKeyUUDPKVAAVSCTBA-UHFFFAOYSA-N
XLogP1.49
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-methylfuran-2-yl)methyl]-3-oxo-4-propylpiperazin-2-yl]acetic acid?
The IUPAC name of 2-[1-[(5-methylfuran-2-yl)methyl]-3-oxo-4-propylpiperazin-2-yl]acetic acid (CID 110284244) is 2-[1-[(5-methylfuran-2-yl)methyl]-3-oxo-4-propylpiperazin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[(5-methylfuran-2-yl)methyl]-3-oxo-4-propylpiperazin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[(5-methylfuran-2-yl)methyl]-3-oxo-4-propylpiperazin-2-yl]acetic acid is CCCN1CCN(Cc2ccc(C)o2)C(CC(=O)O)C1=O.
What is the InChIKey of 2-[1-[(5-methylfuran-2-yl)methyl]-3-oxo-4-propylpiperazin-2-yl]acetic acid?
The InChIKey is UUDPKVAAVSCTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-3-6-16-7-8-17(10-12-5-4-11(2)21-12)13(15(16)20)9-14(18)19/h4-5,13H,3,6-10H2,1-2H3,(H,18,19).
What are the key properties of 2-[1-[(5-methylfuran-2-yl)methyl]-3-oxo-4-propylpiperazin-2-yl]acetic acid?
2-[1-[(5-methylfuran-2-yl)methyl]-3-oxo-4-propylpiperazin-2-yl]acetic acid has a molecular weight of 294.35 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-methylfuran-2-yl)methyl]-3-oxo-4-propylpiperazin-2-yl]acetic acid is sourced from PubChem (CID 110284244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).