ethyl 1-[1-(thiophene-2-carbonyl)azetidine-3-carbonyl]piperidine-3-carboxylate

C17H22N2O4S — CID 90510988

IUPACethyl 1-[1-(thiophene-2-carbonyl)azetidine-3-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C2CN(C(=O)c3cccs3)C2)C1
InChIInChI=1S/C17H22N2O4S/c1-2-23-17(22)12-5-3-7-18(9-12)15(20)13-10-19(11-13)16(21)14-6-4-8-24-14/h4,6,8,12-13H,2-3,5,7,9-11H2,1H3
InChIKeyZFVRGMTTXABSKV-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.62
Rot. Bonds4

About ethyl 1-[1-(thiophene-2-carbonyl)azetidine-3-carbonyl]piperidine-3-carboxylate

ethyl 1-[1-(thiophene-2-carbonyl)azetidine-3-carbonyl]piperidine-3-carboxylate (PubChem CID 90510988) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is ethyl 1-[1-(thiophene-2-carbonyl)azetidine-3-carbonyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[1-(thiophene-2-carbonyl)azetidine-3-carbonyl]piperidine-3-carboxylate
PubChem CID90510988
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC Nameethyl 1-[1-(thiophene-2-carbonyl)azetidine-3-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C2CN(C(=O)c3cccs3)C2)C1
InChIInChI=1S/C17H22N2O4S/c1-2-23-17(22)12-5-3-7-18(9-12)15(20)13-10-19(11-13)16(21)14-6-4-8-24-14/h4,6,8,12-13H,2-3,5,7,9-11H2,1H3
InChIKeyZFVRGMTTXABSKV-UHFFFAOYSA-N
XLogP1.62
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 1-[1-(thiophene-2-carbonyl)azetidine-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

piperidin-1-yl-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone
CID 90510983
ethyl 1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylate
CID 51180748
ethyl (3R)-1-[(3R,5R)-5-phenyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carbonyl]piperidine-3-carboxylate
CID 93001860
ethyl (3R)-1-[(3R)-4-benzoyl-8-(thiophene-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carbonyl]piperidine-3-carboxylate
CID 98420981
ethyl 1-(2-methyl-2-thiophen-2-ylpropanoyl)piperidine-3-carboxylate
CID 110698415
[2-(cyclooctylamino)-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate
CID 55556918
ethyl 1-(3-ethylthiophene-2-carbonyl)piperidine-3-carboxylate
CID 61340323
ethyl 1-[N'-methyl-N-(thiophen-2-ylmethyl)carbamimidoyl]piperidine-3-carboxylate
CID 110993757
ethyl (3S)-1-[1-(1H-indole-3-carbonyl)azetidine-3-carbonyl]piperidine-3-carboxylate
CID 95377022
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate
CID 55555855
(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666
[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate
CID 55555852

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[1-(thiophene-2-carbonyl)azetidine-3-carbonyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[1-(thiophene-2-carbonyl)azetidine-3-carbonyl]piperidine-3-carboxylate (CID 90510988) is ethyl 1-[1-(thiophene-2-carbonyl)azetidine-3-carbonyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[1-(thiophene-2-carbonyl)azetidine-3-carbonyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[1-(thiophene-2-carbonyl)azetidine-3-carbonyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)C2CN(C(=O)c3cccs3)C2)C1.
What is the InChIKey of ethyl 1-[1-(thiophene-2-carbonyl)azetidine-3-carbonyl]piperidine-3-carboxylate?
The InChIKey is ZFVRGMTTXABSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-2-23-17(22)12-5-3-7-18(9-12)15(20)13-10-19(11-13)16(21)14-6-4-8-24-14/h4,6,8,12-13H,2-3,5,7,9-11H2,1H3.
What are the key properties of ethyl 1-[1-(thiophene-2-carbonyl)azetidine-3-carbonyl]piperidine-3-carboxylate?
ethyl 1-[1-(thiophene-2-carbonyl)azetidine-3-carbonyl]piperidine-3-carboxylate has a molecular weight of 350.44 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[1-(thiophene-2-carbonyl)azetidine-3-carbonyl]piperidine-3-carboxylate is sourced from PubChem (CID 90510988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).