ethyl 2-[(1-acetylpiperidine-4-carbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate

C18H26N2O4S — CID 6468230

IUPACethyl 2-[(1-acetylpiperidine-4-carbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)C2CCN(C(C)=O)CC2)sc(C)c1CC
InChIInChI=1S/C18H26N2O4S/c1-5-14-11(3)25-17(15(14)18(23)24-6-2)19-16(22)13-7-9-20(10-8-13)12(4)21/h13H,5-10H2,1-4H3,(H,19,22)
InChIKeyRUDITQYZEKFMJD-UHFFFAOYSA-N
MW366.48 g/mol
LogP2.99
Rot. Bonds5

About ethyl 2-[(1-acetylpiperidine-4-carbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate

ethyl 2-[(1-acetylpiperidine-4-carbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate (PubChem CID 6468230) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is ethyl 2-[(1-acetylpiperidine-4-carbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(1-acetylpiperidine-4-carbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate
PubChem CID6468230
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Nameethyl 2-[(1-acetylpiperidine-4-carbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)C2CCN(C(C)=O)CC2)sc(C)c1CC
InChIInChI=1S/C18H26N2O4S/c1-5-14-11(3)25-17(15(14)18(23)24-6-2)19-16(22)13-7-9-20(10-8-13)12(4)21/h13H,5-10H2,1-4H3,(H,19,22)
InChIKeyRUDITQYZEKFMJD-UHFFFAOYSA-N
XLogP2.99
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-acetylpiperidine-4-carbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-[(1-acetylpiperidine-4-carbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate (CID 6468230) is ethyl 2-[(1-acetylpiperidine-4-carbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[(1-acetylpiperidine-4-carbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[(1-acetylpiperidine-4-carbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)C2CCN(C(C)=O)CC2)sc(C)c1CC.
What is the InChIKey of ethyl 2-[(1-acetylpiperidine-4-carbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate?
The InChIKey is RUDITQYZEKFMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-5-14-11(3)25-17(15(14)18(23)24-6-2)19-16(22)13-7-9-20(10-8-13)12(4)21/h13H,5-10H2,1-4H3,(H,19,22).
What are the key properties of ethyl 2-[(1-acetylpiperidine-4-carbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate?
ethyl 2-[(1-acetylpiperidine-4-carbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate has a molecular weight of 366.48 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-acetylpiperidine-4-carbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate is sourced from PubChem (CID 6468230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).