2-[1-(1-thiophen-2-ylpropan-2-ylcarbamoyl)piperidin-3-yl]acetic acid

C15H22N2O3S — CID 63292234

IUPAC2-[1-(1-thiophen-2-ylpropan-2-ylcarbamoyl)piperidin-3-yl]acetic acid
SMILESCC(Cc1cccs1)NC(=O)N1CCCC(CC(=O)O)C1
InChIInChI=1S/C15H22N2O3S/c1-11(8-13-5-3-7-21-13)16-15(20)17-6-2-4-12(10-17)9-14(18)19/h3,5,7,11-12H,2,4,6,8-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyDKUWOBVOGDAVTC-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.58
Rot. Bonds5

About 2-[1-(1-thiophen-2-ylpropan-2-ylcarbamoyl)piperidin-3-yl]acetic acid

2-[1-(1-thiophen-2-ylpropan-2-ylcarbamoyl)piperidin-3-yl]acetic acid (PubChem CID 63292234) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-[1-(1-thiophen-2-ylpropan-2-ylcarbamoyl)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-thiophen-2-ylpropan-2-ylcarbamoyl)piperidin-3-yl]acetic acid
PubChem CID63292234
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name2-[1-(1-thiophen-2-ylpropan-2-ylcarbamoyl)piperidin-3-yl]acetic acid
SMILESCC(Cc1cccs1)NC(=O)N1CCCC(CC(=O)O)C1
InChIInChI=1S/C15H22N2O3S/c1-11(8-13-5-3-7-21-13)16-15(20)17-6-2-4-12(10-17)9-14(18)19/h3,5,7,11-12H,2,4,6,8-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyDKUWOBVOGDAVTC-UHFFFAOYSA-N
XLogP2.58
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-(1-thiophen-2-ylpropan-2-ylcarbamoyl)piperidin-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-thiophen-2-ylpropan-2-ylcarbamoyl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(1-thiophen-2-ylpropan-2-ylcarbamoyl)piperidin-3-yl]acetic acid (CID 63292234) is 2-[1-(1-thiophen-2-ylpropan-2-ylcarbamoyl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(1-thiophen-2-ylpropan-2-ylcarbamoyl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(1-thiophen-2-ylpropan-2-ylcarbamoyl)piperidin-3-yl]acetic acid is CC(Cc1cccs1)NC(=O)N1CCCC(CC(=O)O)C1.
What is the InChIKey of 2-[1-(1-thiophen-2-ylpropan-2-ylcarbamoyl)piperidin-3-yl]acetic acid?
The InChIKey is DKUWOBVOGDAVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-11(8-13-5-3-7-21-13)16-15(20)17-6-2-4-12(10-17)9-14(18)19/h3,5,7,11-12H,2,4,6,8-10H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-[1-(1-thiophen-2-ylpropan-2-ylcarbamoyl)piperidin-3-yl]acetic acid?
2-[1-(1-thiophen-2-ylpropan-2-ylcarbamoyl)piperidin-3-yl]acetic acid has a molecular weight of 310.42 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-thiophen-2-ylpropan-2-ylcarbamoyl)piperidin-3-yl]acetic acid is sourced from PubChem (CID 63292234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).