3-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]propanoic acid

C14H21NO2S — CID 65062242

IUPAC3-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]propanoic acid
SMILESCc1ccc(CN2CCC(CCC(=O)O)CC2)s1
InChIInChI=1S/C14H21NO2S/c1-11-2-4-13(18-11)10-15-8-6-12(7-9-15)3-5-14(16)17/h2,4,12H,3,5-10H2,1H3,(H,16,17)
InChIKeyRLNCLGCFYHBLJQ-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.13
Rot. Bonds5

About 3-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]propanoic acid

3-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]propanoic acid (PubChem CID 65062242) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 3-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]propanoic acid
PubChem CID65062242
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name3-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]propanoic acid
SMILESCc1ccc(CN2CCC(CCC(=O)O)CC2)s1
InChIInChI=1S/C14H21NO2S/c1-11-2-4-13(18-11)10-15-8-6-12(7-9-15)3-5-14(16)17/h2,4,12H,3,5-10H2,1H3,(H,16,17)
InChIKeyRLNCLGCFYHBLJQ-UHFFFAOYSA-N
XLogP3.13
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]propanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

4-ethyl-1-[(5-methylthiophen-2-yl)methyl]piperidine
CID 70894300
3-[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]propanoic acid
CID 65060027
3-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]propanoic acid
CID 62218058
4-methyl-1-[(5-methylthiophen-2-yl)methyl]piperidine
CID 71220628
2-[4-[(5-methylthiophen-2-yl)methyl]-1,4-diazepan-1-yl]acetic acid
CID 65062127
3-[1-[(3,5-dimethylphenyl)methyl]piperidin-4-yl]propanoic acid
CID 62216017
3-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]propanoic acid
CID 62216848
3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]propanoic acid
CID 65062691
3-[1-[(5-methyl-2-pyridinyl)methyl]piperidin-4-yl]propanoic acid
CID 81320286
4-methoxy-1-[(5-methylthiophen-2-yl)methyl]piperidine
CID 121020761
(3S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-ol
CID 103882959
1-(4-benzylpiperazin-1-yl)-3-[1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]propan-1-one
CID 45188039

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]propanoic acid (CID 65062242) is 3-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]propanoic acid is Cc1ccc(CN2CCC(CCC(=O)O)CC2)s1.
What is the InChIKey of 3-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]propanoic acid?
The InChIKey is RLNCLGCFYHBLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-11-2-4-13(18-11)10-15-8-6-12(7-9-15)3-5-14(16)17/h2,4,12H,3,5-10H2,1H3,(H,16,17).
What are the key properties of 3-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]propanoic acid?
3-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]propanoic acid has a molecular weight of 267.39 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]propanoic acid is sourced from PubChem (CID 65062242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).