3-amino-5-(4-aminopiperidin-1-yl)-N-ethyl-4-methoxythiophene-2-carboxamide

C13H22N4O2S — CID 103525626

IUPAC3-amino-5-(4-aminopiperidin-1-yl)-N-ethyl-4-methoxythiophene-2-carboxamide
SMILESCCNC(=O)c1sc(N2CCC(N)CC2)c(OC)c1N
InChIInChI=1S/C13H22N4O2S/c1-3-16-12(18)11-9(15)10(19-2)13(20-11)17-6-4-8(14)5-7-17/h8H,3-7,14-15H2,1-2H3,(H,16,18)
InChIKeyROQHPCWYONLWQK-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.02
Rot. Bonds4

About 3-amino-5-(4-aminopiperidin-1-yl)-N-ethyl-4-methoxythiophene-2-carboxamide

3-amino-5-(4-aminopiperidin-1-yl)-N-ethyl-4-methoxythiophene-2-carboxamide (PubChem CID 103525626) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-amino-5-(4-aminopiperidin-1-yl)-N-ethyl-4-methoxythiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(4-aminopiperidin-1-yl)-N-ethyl-4-methoxythiophene-2-carboxamide
PubChem CID103525626
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name3-amino-5-(4-aminopiperidin-1-yl)-N-ethyl-4-methoxythiophene-2-carboxamide
SMILESCCNC(=O)c1sc(N2CCC(N)CC2)c(OC)c1N
InChIInChI=1S/C13H22N4O2S/c1-3-16-12(18)11-9(15)10(19-2)13(20-11)17-6-4-8(14)5-7-17/h8H,3-7,14-15H2,1-2H3,(H,16,18)
InChIKeyROQHPCWYONLWQK-UHFFFAOYSA-N
XLogP1.02
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-ethyl-5-(3-ethylpyrrolidin-1-yl)-4-methoxythiophene-2-carboxamide
CID 103506114
3-amino-N-ethyl-4-methoxy-5-(1,4-oxazepan-4-yl)thiophene-2-carboxamide
CID 103421810
3-amino-N-ethyl-5-(2-ethylthiomorpholin-4-yl)-4-methoxythiophene-2-carboxamide
CID 103506506
methyl 4-amino-2-(3-aminopyrrolidin-1-yl)-5-(ethylcarbamoyl)thiophene-3-carboxylate
CID 103525739
3-amino-5-(3-aminopyrrolidin-1-yl)-4-methoxythiophene-2-carboxamide
CID 103525772
3-amino-4-cyano-N-ethyl-5-(4-hydroxypiperidin-1-yl)thiophene-2-carboxamide
CID 103418581
3-amino-4-methoxy-5-(3-methoxypyrrolidin-1-yl)-N-propylthiophene-2-carboxamide
CID 103542420
1-[3-amino-5-(4-ethylpiperidin-1-yl)-4-methoxythiophen-2-yl]propan-1-one
CID 103418027
methyl 3-amino-5-(3-ethylpyrrolidin-1-yl)-4-methoxythiophene-2-carboxylate
CID 103506141
3-amino-4-methoxy-N-methyl-5-pyrrolidin-1-ylthiophene-2-carboxamide
CID 103418885
methyl 3-amino-5-[4-(1-hydroxyethyl)piperidin-1-yl]-4-methoxythiophene-2-carboxylate
CID 106840044
3-amino-5-(azepan-1-yl)-N-cyclopropyl-4-methoxythiophene-2-carboxamide
CID 103419611

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-aminopiperidin-1-yl)-N-ethyl-4-methoxythiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(4-aminopiperidin-1-yl)-N-ethyl-4-methoxythiophene-2-carboxamide (CID 103525626) is 3-amino-5-(4-aminopiperidin-1-yl)-N-ethyl-4-methoxythiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(4-aminopiperidin-1-yl)-N-ethyl-4-methoxythiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(4-aminopiperidin-1-yl)-N-ethyl-4-methoxythiophene-2-carboxamide is CCNC(=O)c1sc(N2CCC(N)CC2)c(OC)c1N.
What is the InChIKey of 3-amino-5-(4-aminopiperidin-1-yl)-N-ethyl-4-methoxythiophene-2-carboxamide?
The InChIKey is ROQHPCWYONLWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-3-16-12(18)11-9(15)10(19-2)13(20-11)17-6-4-8(14)5-7-17/h8H,3-7,14-15H2,1-2H3,(H,16,18).
What are the key properties of 3-amino-5-(4-aminopiperidin-1-yl)-N-ethyl-4-methoxythiophene-2-carboxamide?
3-amino-5-(4-aminopiperidin-1-yl)-N-ethyl-4-methoxythiophene-2-carboxamide has a molecular weight of 298.41 g/mol, XLogP of 1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4-aminopiperidin-1-yl)-N-ethyl-4-methoxythiophene-2-carboxamide is sourced from PubChem (CID 103525626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).