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

C15H26N2O3 — CID 110284130

IUPAC2-(1-cyclohexyl-3-oxo-4-propylpiperazin-2-yl)acetic acid
SMILESCCCN1CCN(C2CCCCC2)C(CC(=O)O)C1=O
InChIInChI=1S/C15H26N2O3/c1-2-8-16-9-10-17(12-6-4-3-5-7-12)13(15(16)20)11-14(18)19/h12-13H,2-11H2,1H3,(H,18,19)
InChIKeyIJOURUVOZGEZQE-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.72
Rot. Bonds5

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

2-(1-cyclohexyl-3-oxo-4-propylpiperazin-2-yl)acetic acid (PubChem CID 110284130) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-(1-cyclohexyl-3-oxo-4-propylpiperazin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1-cyclohexyl-3-oxo-4-propylpiperazin-2-yl)acetic acid
PubChem CID110284130
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-(1-cyclohexyl-3-oxo-4-propylpiperazin-2-yl)acetic acid
SMILESCCCN1CCN(C2CCCCC2)C(CC(=O)O)C1=O
InChIInChI=1S/C15H26N2O3/c1-2-8-16-9-10-17(12-6-4-3-5-7-12)13(15(16)20)11-14(18)19/h12-13H,2-11H2,1H3,(H,18,19)
InChIKeyIJOURUVOZGEZQE-UHFFFAOYSA-N
XLogP1.72
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-oxo-1-propan-2-yl-4-propylpiperazin-2-yl)acetic acid
CID 110284114
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-[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-[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-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-(cyclopentanecarbonyl)-4-methyl-3-oxopiperazin-2-yl]acetic acid
CID 110284378
2-[4-(2-methoxyethyl)-1-methylsulfonyl-3-oxopiperazin-2-yl]acetic acid
CID 110284451
2-[1-(2-methoxyethyl)-2-oxoazepan-3-yl]acetic acid
CID 91920316

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexyl-3-oxo-4-propylpiperazin-2-yl)acetic acid?
The IUPAC name of 2-(1-cyclohexyl-3-oxo-4-propylpiperazin-2-yl)acetic acid (CID 110284130) is 2-(1-cyclohexyl-3-oxo-4-propylpiperazin-2-yl)acetic acid.
What is the SMILES notation for 2-(1-cyclohexyl-3-oxo-4-propylpiperazin-2-yl)acetic acid?
The canonical SMILES for 2-(1-cyclohexyl-3-oxo-4-propylpiperazin-2-yl)acetic acid is CCCN1CCN(C2CCCCC2)C(CC(=O)O)C1=O.
What is the InChIKey of 2-(1-cyclohexyl-3-oxo-4-propylpiperazin-2-yl)acetic acid?
The InChIKey is IJOURUVOZGEZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-2-8-16-9-10-17(12-6-4-3-5-7-12)13(15(16)20)11-14(18)19/h12-13H,2-11H2,1H3,(H,18,19).
What are the key properties of 2-(1-cyclohexyl-3-oxo-4-propylpiperazin-2-yl)acetic acid?
2-(1-cyclohexyl-3-oxo-4-propylpiperazin-2-yl)acetic acid has a molecular weight of 282.38 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexyl-3-oxo-4-propylpiperazin-2-yl)acetic acid is sourced from PubChem (CID 110284130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).