ethyl 1-(4-amino-5-methylthiophene-2-carbonyl)piperidine-4-carboxylate

C14H20N2O3S — CID 61116998

IUPACethyl 1-(4-amino-5-methylthiophene-2-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cc(N)c(C)s2)CC1
InChIInChI=1S/C14H20N2O3S/c1-3-19-14(18)10-4-6-16(7-5-10)13(17)12-8-11(15)9(2)20-12/h8,10H,3-7,15H2,1-2H3
InChIKeyFGCCAJUPNICICQ-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.05
Rot. Bonds3

About ethyl 1-(4-amino-5-methylthiophene-2-carbonyl)piperidine-4-carboxylate

ethyl 1-(4-amino-5-methylthiophene-2-carbonyl)piperidine-4-carboxylate (PubChem CID 61116998) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is ethyl 1-(4-amino-5-methylthiophene-2-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-amino-5-methylthiophene-2-carbonyl)piperidine-4-carboxylate
PubChem CID61116998
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Nameethyl 1-(4-amino-5-methylthiophene-2-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cc(N)c(C)s2)CC1
InChIInChI=1S/C14H20N2O3S/c1-3-19-14(18)10-4-6-16(7-5-10)13(17)12-8-11(15)9(2)20-12/h8,10H,3-7,15H2,1-2H3
InChIKeyFGCCAJUPNICICQ-UHFFFAOYSA-N
XLogP2.05
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-amino-5-methylthiophen-2-yl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone
CID 61109090
ethyl 1-(4-ethyl-5-propylthiophene-2-carbonyl)piperidine-4-carboxylate
CID 51109948
ethyl 1-(4-amino-5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 55005656
(4-amino-5-methylthiophen-2-yl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone
CID 61115940
(4-amino-5-methylthiophen-2-yl)-(4-methylazepan-1-yl)methanone
CID 63624400
(4-amino-5-methylthiophen-2-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114796719
ethyl 1-(thiadiazole-5-carbonyl)piperidine-4-carboxylate
CID 43623389
ethyl 1-(2,4-diaminobenzoyl)piperidine-4-carboxylate
CID 61116886
(4-amino-5-methylthiophen-2-yl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 61115746
ethyl 4-(4-amino-5-methylthiophene-2-carbonyl)thiomorpholine-3-carboxylate
CID 61113750
ethyl 1-(4,5-dihydrothieno[2,3-e][1]benzothiole-2-carbonyl)piperidine-4-carboxylate
CID 20963392
ethyl 1-[2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carbonyl]piperidine-4-carboxylate
CID 71836473

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-amino-5-methylthiophene-2-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(4-amino-5-methylthiophene-2-carbonyl)piperidine-4-carboxylate (CID 61116998) is ethyl 1-(4-amino-5-methylthiophene-2-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(4-amino-5-methylthiophene-2-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(4-amino-5-methylthiophene-2-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2cc(N)c(C)s2)CC1.
What is the InChIKey of ethyl 1-(4-amino-5-methylthiophene-2-carbonyl)piperidine-4-carboxylate?
The InChIKey is FGCCAJUPNICICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-3-19-14(18)10-4-6-16(7-5-10)13(17)12-8-11(15)9(2)20-12/h8,10H,3-7,15H2,1-2H3.
What are the key properties of ethyl 1-(4-amino-5-methylthiophene-2-carbonyl)piperidine-4-carboxylate?
ethyl 1-(4-amino-5-methylthiophene-2-carbonyl)piperidine-4-carboxylate has a molecular weight of 296.39 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-amino-5-methylthiophene-2-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 61116998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).