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

C18H26N2O4S — CID 6470425

IUPACethyl 2-[(1-acetylpiperidine-4-carbonyl)amino]-5-propylthiophene-3-carboxylate
SMILESCCCc1cc(C(=O)OCC)c(NC(=O)C2CCN(C(C)=O)CC2)s1
InChIInChI=1S/C18H26N2O4S/c1-4-6-14-11-15(18(23)24-5-2)17(25-14)19-16(22)13-7-9-20(10-8-13)12(3)21/h11,13H,4-10H2,1-3H3,(H,19,22)
InChIKeyNSVWMAFHGWNTIJ-UHFFFAOYSA-N
MW366.48 g/mol
LogP3.07
Rot. Bonds6

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

ethyl 2-[(1-acetylpiperidine-4-carbonyl)amino]-5-propylthiophene-3-carboxylate (PubChem CID 6470425) 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]-5-propylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(1-acetylpiperidine-4-carbonyl)amino]-5-propylthiophene-3-carboxylate
PubChem CID6470425
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Nameethyl 2-[(1-acetylpiperidine-4-carbonyl)amino]-5-propylthiophene-3-carboxylate
SMILESCCCc1cc(C(=O)OCC)c(NC(=O)C2CCN(C(C)=O)CC2)s1
InChIInChI=1S/C18H26N2O4S/c1-4-6-14-11-15(18(23)24-5-2)17(25-14)19-16(22)13-7-9-20(10-8-13)12(3)21/h11,13H,4-10H2,1-3H3,(H,19,22)
InChIKeyNSVWMAFHGWNTIJ-UHFFFAOYSA-N
XLogP3.07
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 53.07
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]-5-propylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-[(1-acetylpiperidine-4-carbonyl)amino]-5-propylthiophene-3-carboxylate (CID 6470425) is ethyl 2-[(1-acetylpiperidine-4-carbonyl)amino]-5-propylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[(1-acetylpiperidine-4-carbonyl)amino]-5-propylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[(1-acetylpiperidine-4-carbonyl)amino]-5-propylthiophene-3-carboxylate is CCCc1cc(C(=O)OCC)c(NC(=O)C2CCN(C(C)=O)CC2)s1.
What is the InChIKey of ethyl 2-[(1-acetylpiperidine-4-carbonyl)amino]-5-propylthiophene-3-carboxylate?
The InChIKey is NSVWMAFHGWNTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-4-6-14-11-15(18(23)24-5-2)17(25-14)19-16(22)13-7-9-20(10-8-13)12(3)21/h11,13H,4-10H2,1-3H3,(H,19,22).
What are the key properties of ethyl 2-[(1-acetylpiperidine-4-carbonyl)amino]-5-propylthiophene-3-carboxylate?
ethyl 2-[(1-acetylpiperidine-4-carbonyl)amino]-5-propylthiophene-3-carboxylate has a molecular weight of 366.48 g/mol, XLogP of 3.07, 6 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]-5-propylthiophene-3-carboxylate is sourced from PubChem (CID 6470425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).