N-(4-acetamidophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

C19H21N3O3S — CID 1081265

IUPACN-(4-acetamidophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C19H21N3O3S/c1-13(23)20-15-4-6-16(7-5-15)21-18(24)14-8-10-22(11-9-14)19(25)17-3-2-12-26-17/h2-7,12,14H,8-11H2,1H3,(H,20,23)(H,21,24)
InChIKeyWYBHFUAXFSOQRU-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.20
Rot. Bonds4

About N-(4-acetamidophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

N-(4-acetamidophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 1081265) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID1081265
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-(4-acetamidophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C19H21N3O3S/c1-13(23)20-15-4-6-16(7-5-15)21-18(24)14-8-10-22(11-9-14)19(25)17-3-2-12-26-17/h2-7,12,14H,8-11H2,1H3,(H,20,23)(H,21,24)
InChIKeyWYBHFUAXFSOQRU-UHFFFAOYSA-N
XLogP3.20
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (CID 1081265) is N-(4-acetamidophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is CC(=O)Nc1ccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is WYBHFUAXFSOQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-13(23)20-15-4-6-16(7-5-15)21-18(24)14-8-10-22(11-9-14)19(25)17-3-2-12-26-17/h2-7,12,14H,8-11H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-(4-acetamidophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
N-(4-acetamidophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 1081265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).