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

C17H24N2O4S — CID 6470019

IUPACmethyl 2-[(1-acetylpiperidine-4-carbonyl)amino]-5-propylthiophene-3-carboxylate
SMILESCCCc1cc(C(=O)OC)c(NC(=O)C2CCN(C(C)=O)CC2)s1
InChIInChI=1S/C17H24N2O4S/c1-4-5-13-10-14(17(22)23-3)16(24-13)18-15(21)12-6-8-19(9-7-12)11(2)20/h10,12H,4-9H2,1-3H3,(H,18,21)
InChIKeyIHQFYSBFEDCARV-UHFFFAOYSA-N
MW352.46 g/mol
LogP2.68
Rot. Bonds5

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

methyl 2-[(1-acetylpiperidine-4-carbonyl)amino]-5-propylthiophene-3-carboxylate (PubChem CID 6470019) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is methyl 2-[(1-acetylpiperidine-4-carbonyl)amino]-5-propylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(1-acetylpiperidine-4-carbonyl)amino]-5-propylthiophene-3-carboxylate
PubChem CID6470019
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Namemethyl 2-[(1-acetylpiperidine-4-carbonyl)amino]-5-propylthiophene-3-carboxylate
SMILESCCCc1cc(C(=O)OC)c(NC(=O)C2CCN(C(C)=O)CC2)s1
InChIInChI=1S/C17H24N2O4S/c1-4-5-13-10-14(17(22)23-3)16(24-13)18-15(21)12-6-8-19(9-7-12)11(2)20/h10,12H,4-9H2,1-3H3,(H,18,21)
InChIKeyIHQFYSBFEDCARV-UHFFFAOYSA-N
XLogP2.68
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 52.68
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-propylthiophene-3-carboxylate?
The IUPAC name of methyl 2-[(1-acetylpiperidine-4-carbonyl)amino]-5-propylthiophene-3-carboxylate (CID 6470019) is methyl 2-[(1-acetylpiperidine-4-carbonyl)amino]-5-propylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[(1-acetylpiperidine-4-carbonyl)amino]-5-propylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-[(1-acetylpiperidine-4-carbonyl)amino]-5-propylthiophene-3-carboxylate is CCCc1cc(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-propylthiophene-3-carboxylate?
The InChIKey is IHQFYSBFEDCARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-4-5-13-10-14(17(22)23-3)16(24-13)18-15(21)12-6-8-19(9-7-12)11(2)20/h10,12H,4-9H2,1-3H3,(H,18,21).
What are the key properties of methyl 2-[(1-acetylpiperidine-4-carbonyl)amino]-5-propylthiophene-3-carboxylate?
methyl 2-[(1-acetylpiperidine-4-carbonyl)amino]-5-propylthiophene-3-carboxylate has a molecular weight of 352.46 g/mol, XLogP of 2.68, 5 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-propylthiophene-3-carboxylate is sourced from PubChem (CID 6470019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).