2-[3-(2,2-dimethyl-3-oxo-4-propylpiperazine-1-carbonyl)-2-oxo-1-pyridinyl]acetic acid

C17H23N3O5 — CID 154866998

IUPAC2-[3-(2,2-dimethyl-3-oxo-4-propylpiperazine-1-carbonyl)-2-oxo-1-pyridinyl]acetic acid
SMILESCCCN1CCN(C(=O)c2cccn(CC(=O)O)c2=O)C(C)(C)C1=O
InChIInChI=1S/C17H23N3O5/c1-4-7-18-9-10-20(17(2,3)16(18)25)15(24)12-6-5-8-19(14(12)23)11-13(21)22/h5-6,8H,4,7,9-11H2,1-3H3,(H,21,22)
InChIKeyYGLVLSDSTQPYSC-UHFFFAOYSA-N
MW349.39 g/mol
LogP0.41
Rot. Bonds5

About 2-[3-(2,2-dimethyl-3-oxo-4-propylpiperazine-1-carbonyl)-2-oxo-1-pyridinyl]acetic acid

2-[3-(2,2-dimethyl-3-oxo-4-propylpiperazine-1-carbonyl)-2-oxo-1-pyridinyl]acetic acid (PubChem CID 154866998) has the molecular formula C17H23N3O5 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-[3-(2,2-dimethyl-3-oxo-4-propylpiperazine-1-carbonyl)-2-oxo-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3-(2,2-dimethyl-3-oxo-4-propylpiperazine-1-carbonyl)-2-oxo-1-pyridinyl]acetic acid
PubChem CID154866998
Molecular FormulaC17H23N3O5
Molecular Weight349.39 g/mol
Exact Mass349.16
IUPAC Name2-[3-(2,2-dimethyl-3-oxo-4-propylpiperazine-1-carbonyl)-2-oxo-1-pyridinyl]acetic acid
SMILESCCCN1CCN(C(=O)c2cccn(CC(=O)O)c2=O)C(C)(C)C1=O
InChIInChI=1S/C17H23N3O5/c1-4-7-18-9-10-20(17(2,3)16(18)25)15(24)12-6-5-8-19(14(12)23)11-13(21)22/h5-6,8H,4,7,9-11H2,1-3H3,(H,21,22)
InChIKeyYGLVLSDSTQPYSC-UHFFFAOYSA-N
XLogP0.41
TPSA99.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2-dimethyl-3-oxo-4-propylpiperazine-1-carbonyl)-2-oxo-1-pyridinyl]acetic acid?
The IUPAC name of 2-[3-(2,2-dimethyl-3-oxo-4-propylpiperazine-1-carbonyl)-2-oxo-1-pyridinyl]acetic acid (CID 154866998) is 2-[3-(2,2-dimethyl-3-oxo-4-propylpiperazine-1-carbonyl)-2-oxo-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3-(2,2-dimethyl-3-oxo-4-propylpiperazine-1-carbonyl)-2-oxo-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[3-(2,2-dimethyl-3-oxo-4-propylpiperazine-1-carbonyl)-2-oxo-1-pyridinyl]acetic acid is CCCN1CCN(C(=O)c2cccn(CC(=O)O)c2=O)C(C)(C)C1=O.
What is the InChIKey of 2-[3-(2,2-dimethyl-3-oxo-4-propylpiperazine-1-carbonyl)-2-oxo-1-pyridinyl]acetic acid?
The InChIKey is YGLVLSDSTQPYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O5/c1-4-7-18-9-10-20(17(2,3)16(18)25)15(24)12-6-5-8-19(14(12)23)11-13(21)22/h5-6,8H,4,7,9-11H2,1-3H3,(H,21,22).
What are the key properties of 2-[3-(2,2-dimethyl-3-oxo-4-propylpiperazine-1-carbonyl)-2-oxo-1-pyridinyl]acetic acid?
2-[3-(2,2-dimethyl-3-oxo-4-propylpiperazine-1-carbonyl)-2-oxo-1-pyridinyl]acetic acid has a molecular weight of 349.39 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2-dimethyl-3-oxo-4-propylpiperazine-1-carbonyl)-2-oxo-1-pyridinyl]acetic acid is sourced from PubChem (CID 154866998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).