1-(thiophene-2-carbonyl)-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide

C22H21N3O3S2 — CID 31520919

IUPAC1-(thiophene-2-carbonyl)-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)c1)c1cccs1
InChIInChI=1S/C22H21N3O3S2/c26-20(15-8-10-25(11-9-15)22(28)19-7-3-13-30-19)23-16-4-1-5-17(14-16)24-21(27)18-6-2-12-29-18/h1-7,12-15H,8-11H2,(H,23,26)(H,24,27)
InChIKeyLCWUIEIDBQPTAB-UHFFFAOYSA-N
MW439.56 g/mol
LogP4.55
Rot. Bonds5

About 1-(thiophene-2-carbonyl)-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide

1-(thiophene-2-carbonyl)-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide (PubChem CID 31520919) has the molecular formula C22H21N3O3S2 and a molecular weight of 439.56 g/mol. Its IUPAC name is 1-(thiophene-2-carbonyl)-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(thiophene-2-carbonyl)-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide
PubChem CID31520919
Molecular FormulaC22H21N3O3S2
Molecular Weight439.56 g/mol
Exact Mass439.10
IUPAC Name1-(thiophene-2-carbonyl)-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)c1)c1cccs1
InChIInChI=1S/C22H21N3O3S2/c26-20(15-8-10-25(11-9-15)22(28)19-7-3-13-30-19)23-16-4-1-5-17(14-16)24-21(27)18-6-2-12-29-18/h1-7,12-15H,8-11H2,(H,23,26)(H,24,27)
InChIKeyLCWUIEIDBQPTAB-UHFFFAOYSA-N
XLogP4.55
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorobenzoyl)-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide
CID 46513393
N-phenyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075464
N-[3-(cyclobutanecarbonylamino)phenyl]thiophene-2-carboxamide
CID 31518537
N-(3-chloro-4-fluorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075518
N-[3,5-bis(trifluoromethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 27844264
N-(9H-fluoren-2-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 46817722
N-[3-(2-pyridin-2-ylethynyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 46554358
N-[3-[4-(methylamino)piperidine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 119563326
N-[3-(pyrrolidine-1-carbonyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42955485
N-(4-chloro-3-nitrophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224058
N-[3-[(3-fluorophenoxy)methyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 33271886
N-[3-(butylsulfamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 46510399

Frequently Asked Questions

What is the IUPAC name of 1-(thiophene-2-carbonyl)-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(thiophene-2-carbonyl)-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide (CID 31520919) is 1-(thiophene-2-carbonyl)-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(thiophene-2-carbonyl)-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(thiophene-2-carbonyl)-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide is O=C(Nc1cccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)c1)c1cccs1.
What is the InChIKey of 1-(thiophene-2-carbonyl)-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide?
The InChIKey is LCWUIEIDBQPTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3S2/c26-20(15-8-10-25(11-9-15)22(28)19-7-3-13-30-19)23-16-4-1-5-17(14-16)24-21(27)18-6-2-12-29-18/h1-7,12-15H,8-11H2,(H,23,26)(H,24,27).
What are the key properties of 1-(thiophene-2-carbonyl)-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide?
1-(thiophene-2-carbonyl)-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide has a molecular weight of 439.56 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophene-2-carbonyl)-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 31520919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).