2-(3-oxo-1-propan-2-yl-4-propylpiperazin-2-yl)acetic acid

C12H22N2O3 — CID 110284114

IUPAC2-(3-oxo-1-propan-2-yl-4-propylpiperazin-2-yl)acetic acid
SMILESCCCN1CCN(C(C)C)C(CC(=O)O)C1=O
InChIInChI=1S/C12H22N2O3/c1-4-5-13-6-7-14(9(2)3)10(12(13)17)8-11(15)16/h9-10H,4-8H2,1-3H3,(H,15,16)
InChIKeyOBJBHWKKOQLAAL-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.79
Rot. Bonds5

About 2-(3-oxo-1-propan-2-yl-4-propylpiperazin-2-yl)acetic acid

2-(3-oxo-1-propan-2-yl-4-propylpiperazin-2-yl)acetic acid (PubChem CID 110284114) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-(3-oxo-1-propan-2-yl-4-propylpiperazin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(3-oxo-1-propan-2-yl-4-propylpiperazin-2-yl)acetic acid
PubChem CID110284114
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-(3-oxo-1-propan-2-yl-4-propylpiperazin-2-yl)acetic acid
SMILESCCCN1CCN(C(C)C)C(CC(=O)O)C1=O
InChIInChI=1S/C12H22N2O3/c1-4-5-13-6-7-14(9(2)3)10(12(13)17)8-11(15)16/h9-10H,4-8H2,1-3H3,(H,15,16)
InChIKeyOBJBHWKKOQLAAL-UHFFFAOYSA-N
XLogP0.79
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-ethoxyethyl)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetic acid
CID 110284123
2-[4-(cyclobutylmethyl)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetic acid
CID 110284122
2-(1-cyclohexyl-3-oxo-4-propylpiperazin-2-yl)acetic acid
CID 110284130
2-(4-ethyl-3-oxo-1-propylpiperazin-2-yl)acetic acid
CID 110284161
2-[1-[(5-methylfuran-2-yl)methyl]-3-oxo-4-propylpiperazin-2-yl]acetic acid
CID 110284244
2-[4-[(2-fluorophenyl)methyl]-3-oxo-1-propylpiperazin-2-yl]acetic acid
CID 110284176
2-[1-(cyclopropanecarbonyl)-4-(2-ethoxyethyl)-3-oxopiperazin-2-yl]acetic acid
CID 110284355
2-[4-(2-methoxyethyl)-1-methylsulfonyl-3-oxopiperazin-2-yl]acetic acid
CID 110284451
2-(1,4-dimethyl-3-oxopiperazin-2-yl)acetic acid
CID 53408603
2-[1-(cyclopentanecarbonyl)-4-ethyl-3-oxopiperazin-2-yl]acetic acid
CID 110284379
2-[1-(cyclobutanecarbonyl)-4-ethyl-3-oxopiperazin-2-yl]acetic acid
CID 110284362
2-(2-ethyl-1-propan-2-ylpyrrolidin-3-yl)acetic acid
CID 83847942

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-1-propan-2-yl-4-propylpiperazin-2-yl)acetic acid?
The IUPAC name of 2-(3-oxo-1-propan-2-yl-4-propylpiperazin-2-yl)acetic acid (CID 110284114) is 2-(3-oxo-1-propan-2-yl-4-propylpiperazin-2-yl)acetic acid.
What is the SMILES notation for 2-(3-oxo-1-propan-2-yl-4-propylpiperazin-2-yl)acetic acid?
The canonical SMILES for 2-(3-oxo-1-propan-2-yl-4-propylpiperazin-2-yl)acetic acid is CCCN1CCN(C(C)C)C(CC(=O)O)C1=O.
What is the InChIKey of 2-(3-oxo-1-propan-2-yl-4-propylpiperazin-2-yl)acetic acid?
The InChIKey is OBJBHWKKOQLAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-4-5-13-6-7-14(9(2)3)10(12(13)17)8-11(15)16/h9-10H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 2-(3-oxo-1-propan-2-yl-4-propylpiperazin-2-yl)acetic acid?
2-(3-oxo-1-propan-2-yl-4-propylpiperazin-2-yl)acetic acid has a molecular weight of 242.32 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-1-propan-2-yl-4-propylpiperazin-2-yl)acetic acid is sourced from PubChem (CID 110284114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).