methyl 2-[(1-acetylpiperidine-4-carbonyl)amino]-5-ethylthiophene-3-carboxylate

C16H22N2O4S — CID 6468875

IUPACmethyl 2-[(1-acetylpiperidine-4-carbonyl)amino]-5-ethylthiophene-3-carboxylate
SMILESCCc1cc(C(=O)OC)c(NC(=O)C2CCN(C(C)=O)CC2)s1
InChIInChI=1S/C16H22N2O4S/c1-4-12-9-13(16(21)22-3)15(23-12)17-14(20)11-5-7-18(8-6-11)10(2)19/h9,11H,4-8H2,1-3H3,(H,17,20)
InChIKeyBYXUKTMHNCCGGB-UHFFFAOYSA-N
MW338.43 g/mol
LogP2.29
Rot. Bonds4

About methyl 2-[(1-acetylpiperidine-4-carbonyl)amino]-5-ethylthiophene-3-carboxylate

methyl 2-[(1-acetylpiperidine-4-carbonyl)amino]-5-ethylthiophene-3-carboxylate (PubChem CID 6468875) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is methyl 2-[(1-acetylpiperidine-4-carbonyl)amino]-5-ethylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(1-acetylpiperidine-4-carbonyl)amino]-5-ethylthiophene-3-carboxylate
PubChem CID6468875
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC Namemethyl 2-[(1-acetylpiperidine-4-carbonyl)amino]-5-ethylthiophene-3-carboxylate
SMILESCCc1cc(C(=O)OC)c(NC(=O)C2CCN(C(C)=O)CC2)s1
InChIInChI=1S/C16H22N2O4S/c1-4-12-9-13(16(21)22-3)15(23-12)17-14(20)11-5-7-18(8-6-11)10(2)19/h9,11H,4-8H2,1-3H3,(H,17,20)
InChIKeyBYXUKTMHNCCGGB-UHFFFAOYSA-N
XLogP2.29
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-acetylpiperidine-4-carbonyl)amino]-5-ethylthiophene-3-carboxylate?
The IUPAC name of methyl 2-[(1-acetylpiperidine-4-carbonyl)amino]-5-ethylthiophene-3-carboxylate (CID 6468875) is methyl 2-[(1-acetylpiperidine-4-carbonyl)amino]-5-ethylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[(1-acetylpiperidine-4-carbonyl)amino]-5-ethylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-[(1-acetylpiperidine-4-carbonyl)amino]-5-ethylthiophene-3-carboxylate is CCc1cc(C(=O)OC)c(NC(=O)C2CCN(C(C)=O)CC2)s1.
What is the InChIKey of methyl 2-[(1-acetylpiperidine-4-carbonyl)amino]-5-ethylthiophene-3-carboxylate?
The InChIKey is BYXUKTMHNCCGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-4-12-9-13(16(21)22-3)15(23-12)17-14(20)11-5-7-18(8-6-11)10(2)19/h9,11H,4-8H2,1-3H3,(H,17,20).
What are the key properties of methyl 2-[(1-acetylpiperidine-4-carbonyl)amino]-5-ethylthiophene-3-carboxylate?
methyl 2-[(1-acetylpiperidine-4-carbonyl)amino]-5-ethylthiophene-3-carboxylate has a molecular weight of 338.43 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-acetylpiperidine-4-carbonyl)amino]-5-ethylthiophene-3-carboxylate is sourced from PubChem (CID 6468875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).