2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetic acid

C15H20N2O3 — CID 2997405

IUPAC2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetic acid
SMILESO=C(O)CC1C(=O)NCCN1CCCc1ccccc1
InChIInChI=1S/C15H20N2O3/c18-14(19)11-13-15(20)16-8-10-17(13)9-4-7-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,16,20)(H,18,19)
InChIKeyDUANFASSZWBAOS-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.89
Rot. Bonds6

About 2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetic acid

2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetic acid (PubChem CID 2997405) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetic acid
PubChem CID2997405
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetic acid
SMILESO=C(O)CC1C(=O)NCCN1CCCc1ccccc1
InChIInChI=1S/C15H20N2O3/c18-14(19)11-13-15(20)16-8-10-17(13)9-4-7-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,16,20)(H,18,19)
InChIKeyDUANFASSZWBAOS-UHFFFAOYSA-N
XLogP0.89
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetic acid?
The IUPAC name of 2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetic acid (CID 2997405) is 2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetic acid.
What is the SMILES notation for 2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetic acid?
The canonical SMILES for 2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetic acid is O=C(O)CC1C(=O)NCCN1CCCc1ccccc1.
What is the InChIKey of 2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetic acid?
The InChIKey is DUANFASSZWBAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-14(19)11-13-15(20)16-8-10-17(13)9-4-7-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,16,20)(H,18,19).
What are the key properties of 2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetic acid?
2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetic acid has a molecular weight of 276.34 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetic acid is sourced from PubChem (CID 2997405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).