thiophen-2-ylmethyl 3-propylpiperidine-3-carboxylate

C14H21NO2S — CID 63137943

IUPACthiophen-2-ylmethyl 3-propylpiperidine-3-carboxylate
SMILESCCCC1(C(=O)OCc2cccs2)CCCNC1
InChIInChI=1S/C14H21NO2S/c1-2-6-14(7-4-8-15-11-14)13(16)17-10-12-5-3-9-18-12/h3,5,9,15H,2,4,6-8,10-11H2,1H3
InChIKeyDQHCSXYDOUXBRS-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.96
Rot. Bonds5

About thiophen-2-ylmethyl 3-propylpiperidine-3-carboxylate

thiophen-2-ylmethyl 3-propylpiperidine-3-carboxylate (PubChem CID 63137943) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is thiophen-2-ylmethyl 3-propylpiperidine-3-carboxylate.

Molecular Properties

Compound Namethiophen-2-ylmethyl 3-propylpiperidine-3-carboxylate
PubChem CID63137943
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Namethiophen-2-ylmethyl 3-propylpiperidine-3-carboxylate
SMILESCCCC1(C(=O)OCc2cccs2)CCCNC1
InChIInChI=1S/C14H21NO2S/c1-2-6-14(7-4-8-15-11-14)13(16)17-10-12-5-3-9-18-12/h3,5,9,15H,2,4,6-8,10-11H2,1H3
InChIKeyDQHCSXYDOUXBRS-UHFFFAOYSA-N
XLogP2.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze thiophen-2-ylmethyl 3-propylpiperidine-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

3-(thiophen-2-ylmethyl)piperidine-3-carboxylic acid
CID 63132024
3-phenylpropyl 3-propylpiperidine-3-carboxylate
CID 63138075
thiophen-2-ylmethyl 1-(aminomethyl)cyclopropane-1-carboxylate
CID 115451050
methyl 3-propylpiperidine-3-carboxylate
CID 56773807
pentyl 3-propylpiperidine-3-carboxylate
CID 55166073
thiophen-2-ylmethyl 3-(trifluoromethyl)pyrrolidine-3-carboxylate
CID 55227065
3,3-dimethylbutyl 3-propylpiperidine-3-carboxylate
CID 66225091
(3-propylpyrrolidin-3-yl)-thiophen-2-ylmethanone
CID 67327801
3-methyl-3-(thiophen-2-ylmethoxy)piperidine
CID 107385713
(2-bromophenyl)methyl 3-ethylpiperidine-3-carboxylate
CID 82824680
ethyl (3R)-3-(3-phenylpropyl)piperidine-3-carboxylate
CID 95220722
2-(2-methylpropoxy)ethyl 3-propylpiperidine-3-carboxylate
CID 106448068

Frequently Asked Questions

What is the IUPAC name of thiophen-2-ylmethyl 3-propylpiperidine-3-carboxylate?
The IUPAC name of thiophen-2-ylmethyl 3-propylpiperidine-3-carboxylate (CID 63137943) is thiophen-2-ylmethyl 3-propylpiperidine-3-carboxylate.
What is the SMILES notation for thiophen-2-ylmethyl 3-propylpiperidine-3-carboxylate?
The canonical SMILES for thiophen-2-ylmethyl 3-propylpiperidine-3-carboxylate is CCCC1(C(=O)OCc2cccs2)CCCNC1.
What is the InChIKey of thiophen-2-ylmethyl 3-propylpiperidine-3-carboxylate?
The InChIKey is DQHCSXYDOUXBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-2-6-14(7-4-8-15-11-14)13(16)17-10-12-5-3-9-18-12/h3,5,9,15H,2,4,6-8,10-11H2,1H3.
What are the key properties of thiophen-2-ylmethyl 3-propylpiperidine-3-carboxylate?
thiophen-2-ylmethyl 3-propylpiperidine-3-carboxylate has a molecular weight of 267.39 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-2-ylmethyl 3-propylpiperidine-3-carboxylate is sourced from PubChem (CID 63137943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).