ethyl 1-[2-[(4-cyclopropyl-3-ethoxycarbonylthiophen-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate

C20H28N2O5S — CID 8931147

IUPACethyl 1-[2-[(4-cyclopropyl-3-ethoxycarbonylthiophen-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
SMILESCCOC(=O)c1c(C2CC2)csc1NC(=O)CN1CCC(C(=O)OCC)CC1
InChIInChI=1S/C20H28N2O5S/c1-3-26-19(24)14-7-9-22(10-8-14)11-16(23)21-18-17(20(25)27-4-2)15(12-28-18)13-5-6-13/h12-14H,3-11H2,1-2H3,(H,21,23)
InChIKeyQJWTXKFHPBGPHR-UHFFFAOYSA-N
MW408.52 g/mol
LogP3.02
Rot. Bonds8

About ethyl 1-[2-[(4-cyclopropyl-3-ethoxycarbonylthiophen-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate

ethyl 1-[2-[(4-cyclopropyl-3-ethoxycarbonylthiophen-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate (PubChem CID 8931147) has the molecular formula C20H28N2O5S and a molecular weight of 408.52 g/mol. Its IUPAC name is ethyl 1-[2-[(4-cyclopropyl-3-ethoxycarbonylthiophen-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[(4-cyclopropyl-3-ethoxycarbonylthiophen-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
PubChem CID8931147
Molecular FormulaC20H28N2O5S
Molecular Weight408.52 g/mol
Exact Mass408.17
IUPAC Nameethyl 1-[2-[(4-cyclopropyl-3-ethoxycarbonylthiophen-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
SMILESCCOC(=O)c1c(C2CC2)csc1NC(=O)CN1CCC(C(=O)OCC)CC1
InChIInChI=1S/C20H28N2O5S/c1-3-26-19(24)14-7-9-22(10-8-14)11-16(23)21-18-17(20(25)27-4-2)15(12-28-18)13-5-6-13/h12-14H,3-11H2,1-2H3,(H,21,23)
InChIKeyQJWTXKFHPBGPHR-UHFFFAOYSA-N
XLogP3.02
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 1-[2-[(4-cyclopropyl-3-ethoxycarbonylthiophen-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate with MolForge

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Related Compounds

ethyl 4-cyclopropyl-2-[(2-pyrrolidin-1-ylacetyl)amino]thiophene-3-carboxylate
CID 8901519
ethyl 4-cyclopropyl-2-[[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]amino]thiophene-3-carboxylate
CID 55849862
ethyl 4-cyclopropyl-2-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]acetyl]amino]thiophene-3-carboxylate
CID 8898976
ethyl 1-[2-[(3-ethoxycarbonyl-4-thiophen-2-ylthiophen-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 5131629
ethyl 2-[(2-chloroacetyl)amino]-4-cyclopropylthiophene-3-carboxylate
CID 2432665
ethyl 4-cyclopropyl-2-[[2-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]acetyl]amino]thiophene-3-carboxylate
CID 55865590
ethyl 4-cyclopropyl-2-[[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)acetyl]amino]thiophene-3-carboxylate
CID 55845490
ethyl 4-cyclopropyl-2-[[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate
CID 55840542
ethyl 4-cyclopropyl-2-[[2-(prop-2-enylamino)acetyl]amino]thiophene-3-carboxylate
CID 78908249
ethyl 4-cyclopropyl-2-[[2-(1,1-dioxothiolane-3-carbonyl)oxyacetyl]amino]thiophene-3-carboxylate
CID 55425930
ethyl 4-cyclopropyl-2-[[2-[(1R,2S)-2-methylcyclopropanecarbonyl]oxyacetyl]amino]thiophene-3-carboxylate
CID 8019991
ethyl 2-(5-bromopentanoylamino)-4-cyclopropylthiophene-3-carboxylate
CID 103601671

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[(4-cyclopropyl-3-ethoxycarbonylthiophen-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[(4-cyclopropyl-3-ethoxycarbonylthiophen-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate (CID 8931147) is ethyl 1-[2-[(4-cyclopropyl-3-ethoxycarbonylthiophen-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[(4-cyclopropyl-3-ethoxycarbonylthiophen-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[(4-cyclopropyl-3-ethoxycarbonylthiophen-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate is CCOC(=O)c1c(C2CC2)csc1NC(=O)CN1CCC(C(=O)OCC)CC1.
What is the InChIKey of ethyl 1-[2-[(4-cyclopropyl-3-ethoxycarbonylthiophen-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate?
The InChIKey is QJWTXKFHPBGPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O5S/c1-3-26-19(24)14-7-9-22(10-8-14)11-16(23)21-18-17(20(25)27-4-2)15(12-28-18)13-5-6-13/h12-14H,3-11H2,1-2H3,(H,21,23).
What are the key properties of ethyl 1-[2-[(4-cyclopropyl-3-ethoxycarbonylthiophen-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate?
ethyl 1-[2-[(4-cyclopropyl-3-ethoxycarbonylthiophen-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate has a molecular weight of 408.52 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[(4-cyclopropyl-3-ethoxycarbonylthiophen-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate is sourced from PubChem (CID 8931147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).