2-[1-(thiophene-2-carbonyl)piperidin-3-yl]acetic acid

C12H15NO3S — CID 62690225

IUPAC2-[1-(thiophene-2-carbonyl)piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C12H15NO3S/c14-11(15)7-9-3-1-5-13(8-9)12(16)10-4-2-6-17-10/h2,4,6,9H,1,3,5,7-8H2,(H,14,15)
InChIKeyULSZUKVVVMJTTK-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.08
Rot. Bonds3

About 2-[1-(thiophene-2-carbonyl)piperidin-3-yl]acetic acid

2-[1-(thiophene-2-carbonyl)piperidin-3-yl]acetic acid (PubChem CID 62690225) has the molecular formula C12H15NO3S and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-[1-(thiophene-2-carbonyl)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(thiophene-2-carbonyl)piperidin-3-yl]acetic acid
PubChem CID62690225
Molecular FormulaC12H15NO3S
Molecular Weight253.32 g/mol
Exact Mass253.08
IUPAC Name2-[1-(thiophene-2-carbonyl)piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C12H15NO3S/c14-11(15)7-9-3-1-5-13(8-9)12(16)10-4-2-6-17-10/h2,4,6,9H,1,3,5,7-8H2,(H,14,15)
InChIKeyULSZUKVVVMJTTK-UHFFFAOYSA-N
XLogP2.08
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666
2-[1-(2-thiophen-2-ylacetyl)piperidin-3-yl]acetic acid
CID 62690570
[(3R)-3-phenylpiperidin-1-yl]-thiophen-2-ylmethanone
CID 740549
[3-(cyclopentylmethylamino)piperidin-1-yl]-thiophen-2-ylmethanone
CID 83997879
(3-benzylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 110874320
[(3S)-3-(methylamino)piperidin-1-yl]-thiophen-2-ylmethanone
CID 94475795
2-[1-(1-thiophen-2-ylpropan-2-ylcarbamoyl)piperidin-3-yl]acetic acid
CID 63292234
2-[4-(thiophene-2-carbonyl)morpholin-2-yl]acetic acid
CID 66421346
[3-(2-chloroethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 114801038
[3-(2-bromoethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 114801408
[3-(cyclopentylamino)piperidin-1-yl]-thiophen-2-ylmethanone
CID 83999954
(3-phenylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 2908197

Frequently Asked Questions

What is the IUPAC name of 2-[1-(thiophene-2-carbonyl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(thiophene-2-carbonyl)piperidin-3-yl]acetic acid (CID 62690225) is 2-[1-(thiophene-2-carbonyl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(thiophene-2-carbonyl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(thiophene-2-carbonyl)piperidin-3-yl]acetic acid is O=C(O)CC1CCCN(C(=O)c2cccs2)C1.
What is the InChIKey of 2-[1-(thiophene-2-carbonyl)piperidin-3-yl]acetic acid?
The InChIKey is ULSZUKVVVMJTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3S/c14-11(15)7-9-3-1-5-13(8-9)12(16)10-4-2-6-17-10/h2,4,6,9H,1,3,5,7-8H2,(H,14,15).
What are the key properties of 2-[1-(thiophene-2-carbonyl)piperidin-3-yl]acetic acid?
2-[1-(thiophene-2-carbonyl)piperidin-3-yl]acetic acid has a molecular weight of 253.32 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(thiophene-2-carbonyl)piperidin-3-yl]acetic acid is sourced from PubChem (CID 62690225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).