(3S)-1-[4-(5-methylthiophen-2-yl)butanoyl]piperidine-3-carboxylic acid

C15H21NO3S — CID 99623166

IUPAC(3S)-1-[4-(5-methylthiophen-2-yl)butanoyl]piperidine-3-carboxylic acid
SMILESCc1ccc(CCCC(=O)N2CCC[C@H](C(=O)O)C2)s1
InChIInChI=1S/C15H21NO3S/c1-11-7-8-13(20-11)5-2-6-14(17)16-9-3-4-12(10-16)15(18)19/h7-8,12H,2-6,9-10H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyLTAVIMQLXQIDCU-LBPRGKRZSA-N
MW295.40 g/mol
LogP2.70
Rot. Bonds5

About (3S)-1-[4-(5-methylthiophen-2-yl)butanoyl]piperidine-3-carboxylic acid

(3S)-1-[4-(5-methylthiophen-2-yl)butanoyl]piperidine-3-carboxylic acid (PubChem CID 99623166) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is (3S)-1-[4-(5-methylthiophen-2-yl)butanoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[4-(5-methylthiophen-2-yl)butanoyl]piperidine-3-carboxylic acid
PubChem CID99623166
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name(3S)-1-[4-(5-methylthiophen-2-yl)butanoyl]piperidine-3-carboxylic acid
SMILESCc1ccc(CCCC(=O)N2CCC[C@H](C(=O)O)C2)s1
InChIInChI=1S/C15H21NO3S/c1-11-7-8-13(20-11)5-2-6-14(17)16-9-3-4-12(10-16)15(18)19/h7-8,12H,2-6,9-10H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyLTAVIMQLXQIDCU-LBPRGKRZSA-N
XLogP2.70
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-1-[4-(5-methylthiophen-2-yl)butanoyl]piperidine-3-carboxylic 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

[(3R)-1-[4-(5-methylthiophen-2-yl)butanoyl]piperidin-3-yl]methanesulfonamide
CID 96560950
1-[(5-methylthiophen-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 62056913
1-(4-phenylbutanoyl)piperidine-3-carboxylic acid
CID 43119516
1-[(5-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid
CID 4044656
1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-(5-methylthiophen-2-yl)butan-1-one
CID 124590420
(3R)-1-[3-(4-methylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 81118292
1-[3-(5-methylfuran-2-yl)propanoyl]piperidine-3-carboxylic acid
CID 119167644
1-(5-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 18072986
1-[4-(3-carboxypiperidin-1-yl)-4-oxobutanoyl]piperidine-3-carboxylic acid
CID 57094658
1-[4-(1H-pyrrol-3-yl)butanoyl]piperidine-3-carboxylic acid
CID 82486332
(3R)-1-hexanoylpiperidine-3-carboxylic acid
CID 28880755
1-(4-carboxybutanoyl)piperidine-3-carboxylic acid
CID 54794401

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[4-(5-methylthiophen-2-yl)butanoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[4-(5-methylthiophen-2-yl)butanoyl]piperidine-3-carboxylic acid (CID 99623166) is (3S)-1-[4-(5-methylthiophen-2-yl)butanoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[4-(5-methylthiophen-2-yl)butanoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[4-(5-methylthiophen-2-yl)butanoyl]piperidine-3-carboxylic acid is Cc1ccc(CCCC(=O)N2CCC[C@H](C(=O)O)C2)s1.
What is the InChIKey of (3S)-1-[4-(5-methylthiophen-2-yl)butanoyl]piperidine-3-carboxylic acid?
The InChIKey is LTAVIMQLXQIDCU-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-11-7-8-13(20-11)5-2-6-14(17)16-9-3-4-12(10-16)15(18)19/h7-8,12H,2-6,9-10H2,1H3,(H,18,19)/t12-/m0/s1.
What are the key properties of (3S)-1-[4-(5-methylthiophen-2-yl)butanoyl]piperidine-3-carboxylic acid?
(3S)-1-[4-(5-methylthiophen-2-yl)butanoyl]piperidine-3-carboxylic acid has a molecular weight of 295.40 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[4-(5-methylthiophen-2-yl)butanoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 99623166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).