2-[(2R,6R)-4-acetyl-1-benzoyl-6-methylpiperazin-2-yl]acetic acid

C16H20N2O4 — CID 176721345

IUPAC2-[(2R,6R)-4-acetyl-1-benzoyl-6-methylpiperazin-2-yl]acetic acid
SMILESCC(=O)N1C[C@@H](CC(=O)O)N(C(=O)c2ccccc2)[C@H](C)C1
InChIInChI=1S/C16H20N2O4/c1-11-9-17(12(2)19)10-14(8-15(20)21)18(11)16(22)13-6-4-3-5-7-13/h3-7,11,14H,8-10H2,1-2H3,(H,20,21)/t11-,14-/m1/s1
InChIKeyQMHHGIMIWIVBEN-BXUZGUMPSA-N
MW304.35 g/mol
LogP1.22
Rot. Bonds3

About 2-[(2R,6R)-4-acetyl-1-benzoyl-6-methylpiperazin-2-yl]acetic acid

2-[(2R,6R)-4-acetyl-1-benzoyl-6-methylpiperazin-2-yl]acetic acid (PubChem CID 176721345) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-[(2R,6R)-4-acetyl-1-benzoyl-6-methylpiperazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R,6R)-4-acetyl-1-benzoyl-6-methylpiperazin-2-yl]acetic acid
PubChem CID176721345
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name2-[(2R,6R)-4-acetyl-1-benzoyl-6-methylpiperazin-2-yl]acetic acid
SMILESCC(=O)N1C[C@@H](CC(=O)O)N(C(=O)c2ccccc2)[C@H](C)C1
InChIInChI=1S/C16H20N2O4/c1-11-9-17(12(2)19)10-14(8-15(20)21)18(11)16(22)13-6-4-3-5-7-13/h3-7,11,14H,8-10H2,1-2H3,(H,20,21)/t11-,14-/m1/s1
InChIKeyQMHHGIMIWIVBEN-BXUZGUMPSA-N
XLogP1.22
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6R)-4-acetyl-1-benzoyl-6-methylpiperazin-2-yl]acetic acid?
The IUPAC name of 2-[(2R,6R)-4-acetyl-1-benzoyl-6-methylpiperazin-2-yl]acetic acid (CID 176721345) is 2-[(2R,6R)-4-acetyl-1-benzoyl-6-methylpiperazin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R,6R)-4-acetyl-1-benzoyl-6-methylpiperazin-2-yl]acetic acid?
The canonical SMILES for 2-[(2R,6R)-4-acetyl-1-benzoyl-6-methylpiperazin-2-yl]acetic acid is CC(=O)N1C[C@@H](CC(=O)O)N(C(=O)c2ccccc2)[C@H](C)C1.
What is the InChIKey of 2-[(2R,6R)-4-acetyl-1-benzoyl-6-methylpiperazin-2-yl]acetic acid?
The InChIKey is QMHHGIMIWIVBEN-BXUZGUMPSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-11-9-17(12(2)19)10-14(8-15(20)21)18(11)16(22)13-6-4-3-5-7-13/h3-7,11,14H,8-10H2,1-2H3,(H,20,21)/t11-,14-/m1/s1.
What are the key properties of 2-[(2R,6R)-4-acetyl-1-benzoyl-6-methylpiperazin-2-yl]acetic acid?
2-[(2R,6R)-4-acetyl-1-benzoyl-6-methylpiperazin-2-yl]acetic acid has a molecular weight of 304.35 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6R)-4-acetyl-1-benzoyl-6-methylpiperazin-2-yl]acetic acid is sourced from PubChem (CID 176721345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).