ethyl 4-cyclopropyl-2-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]thiophene-3-carboxylate

C20H24N4O3S — CID 55755526

IUPACethyl 4-cyclopropyl-2-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(C2CC2)csc1NC(=O)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C20H24N4O3S/c1-2-27-19(26)16-15(13-4-5-13)12-28-18(16)23-17(25)14-6-10-24(11-7-14)20-21-8-3-9-22-20/h3,8-9,12-14H,2,4-7,10-11H2,1H3,(H,23,25)
InChIKeyZLDDOHDMKKSHJC-UHFFFAOYSA-N
MW400.50 g/mol
LogP3.45
Rot. Bonds6

About ethyl 4-cyclopropyl-2-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]thiophene-3-carboxylate

ethyl 4-cyclopropyl-2-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]thiophene-3-carboxylate (PubChem CID 55755526) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is ethyl 4-cyclopropyl-2-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-cyclopropyl-2-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]thiophene-3-carboxylate
PubChem CID55755526
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC Nameethyl 4-cyclopropyl-2-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(C2CC2)csc1NC(=O)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C20H24N4O3S/c1-2-27-19(26)16-15(13-4-5-13)12-28-18(16)23-17(25)14-6-10-24(11-7-14)20-21-8-3-9-22-20/h3,8-9,12-14H,2,4-7,10-11H2,1H3,(H,23,25)
InChIKeyZLDDOHDMKKSHJC-UHFFFAOYSA-N
XLogP3.45
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-cyclopropyl-2-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]thiophene-3-carboxylate with MolForge

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Related Compounds

ethyl 4-cyclopropyl-2-[(2-pyrrolidin-1-ylacetyl)amino]thiophene-3-carboxylate
CID 8901519
ethyl 2-[[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]-4-cyclopropylthiophene-3-carboxylate
CID 55666473
ethyl 1-[2-[(4-cyclopropyl-3-ethoxycarbonylthiophen-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 8931147
ethyl 2-[(2-chloroacetyl)amino]-4-cyclopropylthiophene-3-carboxylate
CID 2432665
ethyl N-[4-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]phenyl]carbamate
CID 171678844
ethyl 5-phenyl-2-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]thiophene-3-carboxylate
CID 78884328
ethyl 2-[(2-amino-2-methylbutanoyl)amino]-4-cyclopropylthiophene-3-carboxylate
CID 79792134
ethyl 2-(2-bromopropanoylamino)-4-cyclopropylthiophene-3-carboxylate
CID 114014241
ethyl 4-cyclopropyl-2-[[2-[3-[(6-methyl-2-pyridinyl)carbamoyl]piperidin-1-yl]acetyl]amino]thiophene-3-carboxylate
CID 55856218
ethyl 2-(5-bromopentanoylamino)-4-cyclopropylthiophene-3-carboxylate
CID 103601671
ethyl 4-cyclopropyl-2-[(2,6-difluorobenzoyl)amino]thiophene-3-carboxylate
CID 78780003
ethyl 4-cyclopropyl-2-[(2-ethoxybenzoyl)amino]thiophene-3-carboxylate
CID 52897079

Frequently Asked Questions

What is the IUPAC name of ethyl 4-cyclopropyl-2-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 4-cyclopropyl-2-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]thiophene-3-carboxylate (CID 55755526) is ethyl 4-cyclopropyl-2-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-cyclopropyl-2-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 4-cyclopropyl-2-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]thiophene-3-carboxylate is CCOC(=O)c1c(C2CC2)csc1NC(=O)C1CCN(c2ncccn2)CC1.
What is the InChIKey of ethyl 4-cyclopropyl-2-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]thiophene-3-carboxylate?
The InChIKey is ZLDDOHDMKKSHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c1-2-27-19(26)16-15(13-4-5-13)12-28-18(16)23-17(25)14-6-10-24(11-7-14)20-21-8-3-9-22-20/h3,8-9,12-14H,2,4-7,10-11H2,1H3,(H,23,25).
What are the key properties of ethyl 4-cyclopropyl-2-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]thiophene-3-carboxylate?
ethyl 4-cyclopropyl-2-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]thiophene-3-carboxylate has a molecular weight of 400.50 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-cyclopropyl-2-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 55755526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).