(2R)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanoic acid

C12H16N2O3S — CID 28705160

IUPAC(2R)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanoic acid
SMILESC[C@H](C(=O)O)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C12H16N2O3S/c1-9(12(16)17)13-4-6-14(7-5-13)11(15)10-3-2-8-18-10/h2-3,8-9H,4-7H2,1H3,(H,16,17)/t9-/m1/s1
InChIKeyHCAHWMCXCMEDHO-SECBINFHSA-N
MW268.34 g/mol
LogP0.98
Rot. Bonds3

About (2R)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanoic acid

(2R)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanoic acid (PubChem CID 28705160) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is (2R)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanoic acid
PubChem CID28705160
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name(2R)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanoic acid
SMILESC[C@H](C(=O)O)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C12H16N2O3S/c1-9(12(16)17)13-4-6-14(7-5-13)11(15)10-3-2-8-18-10/h2-3,8-9H,4-7H2,1H3,(H,16,17)/t9-/m1/s1
InChIKeyHCAHWMCXCMEDHO-SECBINFHSA-N
XLogP0.98
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
(4-butan-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone;oxalic acid
CID 2880105
1-(4-methylpiperidin-1-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one
CID 78795769
(4-benzhydrylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 1154208
[4-(2-hydroxypropyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 82120170
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627
2-[1-(thiophene-2-carbonyl)azetidin-3-yl]propanoic acid
CID 116680820
(4-aminopiperazin-1-yl)-thiophen-2-ylmethanone
CID 19791267
N-methyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
CID 47127631
2-ethyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 110346934
2-[4-(5-ethylthiophene-2-carbonyl)piperazin-1-yl]propanoic acid
CID 62317957
2-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid
CID 62315838

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanoic acid?
The IUPAC name of (2R)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanoic acid (CID 28705160) is (2R)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for (2R)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for (2R)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanoic acid is C[C@H](C(=O)O)N1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of (2R)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanoic acid?
The InChIKey is HCAHWMCXCMEDHO-SECBINFHSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-9(12(16)17)13-4-6-14(7-5-13)11(15)10-3-2-8-18-10/h2-3,8-9H,4-7H2,1H3,(H,16,17)/t9-/m1/s1.
What are the key properties of (2R)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanoic acid?
(2R)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanoic acid has a molecular weight of 268.34 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 28705160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).