1-cyclopropyl-2-(5-methylthiophen-2-yl)-6-oxopiperidine-3-carboxylic acid

C14H17NO3S — CID 63379529

IUPAC1-cyclopropyl-2-(5-methylthiophen-2-yl)-6-oxopiperidine-3-carboxylic acid
SMILESCc1ccc(C2C(C(=O)O)CCC(=O)N2C2CC2)s1
InChIInChI=1S/C14H17NO3S/c1-8-2-6-11(19-8)13-10(14(17)18)5-7-12(16)15(13)9-3-4-9/h2,6,9-10,13H,3-5,7H2,1H3,(H,17,18)
InChIKeyVAAOHKIZGZPSGL-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.58
Rot. Bonds3

About 1-cyclopropyl-2-(5-methylthiophen-2-yl)-6-oxopiperidine-3-carboxylic acid

1-cyclopropyl-2-(5-methylthiophen-2-yl)-6-oxopiperidine-3-carboxylic acid (PubChem CID 63379529) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is 1-cyclopropyl-2-(5-methylthiophen-2-yl)-6-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-2-(5-methylthiophen-2-yl)-6-oxopiperidine-3-carboxylic acid
PubChem CID63379529
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Name1-cyclopropyl-2-(5-methylthiophen-2-yl)-6-oxopiperidine-3-carboxylic acid
SMILESCc1ccc(C2C(C(=O)O)CCC(=O)N2C2CC2)s1
InChIInChI=1S/C14H17NO3S/c1-8-2-6-11(19-8)13-10(14(17)18)5-7-12(16)15(13)9-3-4-9/h2,6,9-10,13H,3-5,7H2,1H3,(H,17,18)
InChIKeyVAAOHKIZGZPSGL-UHFFFAOYSA-N
XLogP2.58
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(5-methylthiophen-2-yl)-6-oxopiperidine-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-2-(5-methylthiophen-2-yl)-6-oxopiperidine-3-carboxylic acid (CID 63379529) is 1-cyclopropyl-2-(5-methylthiophen-2-yl)-6-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-2-(5-methylthiophen-2-yl)-6-oxopiperidine-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-2-(5-methylthiophen-2-yl)-6-oxopiperidine-3-carboxylic acid is Cc1ccc(C2C(C(=O)O)CCC(=O)N2C2CC2)s1.
What is the InChIKey of 1-cyclopropyl-2-(5-methylthiophen-2-yl)-6-oxopiperidine-3-carboxylic acid?
The InChIKey is VAAOHKIZGZPSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-8-2-6-11(19-8)13-10(14(17)18)5-7-12(16)15(13)9-3-4-9/h2,6,9-10,13H,3-5,7H2,1H3,(H,17,18).
What are the key properties of 1-cyclopropyl-2-(5-methylthiophen-2-yl)-6-oxopiperidine-3-carboxylic acid?
1-cyclopropyl-2-(5-methylthiophen-2-yl)-6-oxopiperidine-3-carboxylic acid has a molecular weight of 279.36 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(5-methylthiophen-2-yl)-6-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 63379529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).