ethyl (3S)-1-(thiophene-3-carbonyl)piperidine-3-carboxylate

C13H17NO3S — CID 81344391

IUPACethyl (3S)-1-(thiophene-3-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(C(=O)c2ccsc2)C1
InChIInChI=1S/C13H17NO3S/c1-2-17-13(16)10-4-3-6-14(8-10)12(15)11-5-7-18-9-11/h5,7,9-10H,2-4,6,8H2,1H3/t10-/m0/s1
InChIKeyVXRIDXZVLBNXBF-JTQLQIEISA-N
MW267.35 g/mol
LogP2.16
Rot. Bonds3

About ethyl (3S)-1-(thiophene-3-carbonyl)piperidine-3-carboxylate

ethyl (3S)-1-(thiophene-3-carbonyl)piperidine-3-carboxylate (PubChem CID 81344391) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is ethyl (3S)-1-(thiophene-3-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-1-(thiophene-3-carbonyl)piperidine-3-carboxylate
PubChem CID81344391
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Nameethyl (3S)-1-(thiophene-3-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(C(=O)c2ccsc2)C1
InChIInChI=1S/C13H17NO3S/c1-2-17-13(16)10-4-3-6-14(8-10)12(15)11-5-7-18-9-11/h5,7,9-10H,2-4,6,8H2,1H3/t10-/m0/s1
InChIKeyVXRIDXZVLBNXBF-JTQLQIEISA-N
XLogP2.16
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl (3S)-1-(thiophene-3-carbonyl)piperidine-3-carboxylate 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

ethyl (3R)-1-(pyridine-4-carbonyl)piperidine-3-carboxylate
CID 81344217
(3R)-1-(thiophene-3-carbonyl)piperidine-3-carboxylic acid
CID 30044914
ethyl 4-[(3R)-1-(thiophene-3-carbonyl)piperidin-3-yl]piperazine-1-carboxylate
CID 42286032
ethyl (3R)-1-[4-(hydroxymethyl)benzoyl]piperidine-3-carboxylate
CID 115538788
ethyl 1-(4-tert-butylbenzoyl)piperidine-3-carboxylate
CID 3436669
ethyl 1-(3-chlorothiophene-2-carbonyl)piperidine-3-carboxylate
CID 80642246
ethyl (3R)-1-(4-benzoylbenzoyl)piperidine-3-carboxylate
CID 30283825
ethyl 1-(3-ethylthiophene-2-carbonyl)piperidine-3-carboxylate
CID 61340323
ethyl (3R)-1-(4-propan-2-ylbenzoyl)piperidine-3-carboxylate
CID 2385973
ethyl 1-(3,5-dichlorobenzoyl)piperidine-3-carboxylate
CID 43404461
ethyl (3R)-1-(4-acetyloxybenzoyl)piperidine-3-carboxylate
CID 670738
ethyl (3S)-1-(naphthalene-2-carbonyl)piperidine-3-carboxylate
CID 26710230

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-1-(thiophene-3-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl (3S)-1-(thiophene-3-carbonyl)piperidine-3-carboxylate (CID 81344391) is ethyl (3S)-1-(thiophene-3-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3S)-1-(thiophene-3-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl (3S)-1-(thiophene-3-carbonyl)piperidine-3-carboxylate is CCOC(=O)[C@H]1CCCN(C(=O)c2ccsc2)C1.
What is the InChIKey of ethyl (3S)-1-(thiophene-3-carbonyl)piperidine-3-carboxylate?
The InChIKey is VXRIDXZVLBNXBF-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17NO3S/c1-2-17-13(16)10-4-3-6-14(8-10)12(15)11-5-7-18-9-11/h5,7,9-10H,2-4,6,8H2,1H3/t10-/m0/s1.
What are the key properties of ethyl (3S)-1-(thiophene-3-carbonyl)piperidine-3-carboxylate?
ethyl (3S)-1-(thiophene-3-carbonyl)piperidine-3-carboxylate has a molecular weight of 267.35 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-1-(thiophene-3-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 81344391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).