N-[4-(2-amino-2-oxoethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

C19H21N3O3S — CID 31857710

IUPACN-[4-(2-amino-2-oxoethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESNC(=O)Cc1ccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C19H21N3O3S/c20-17(23)12-13-3-5-15(6-4-13)21-18(24)14-7-9-22(10-8-14)19(25)16-2-1-11-26-16/h1-6,11,14H,7-10,12H2,(H2,20,23)(H,21,24)
InChIKeyURKPJJUJJCRCNO-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.27
Rot. Bonds5

About N-[4-(2-amino-2-oxoethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

N-[4-(2-amino-2-oxoethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 31857710) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID31857710
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-[4-(2-amino-2-oxoethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESNC(=O)Cc1ccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C19H21N3O3S/c20-17(23)12-13-3-5-15(6-4-13)21-18(24)14-7-9-22(10-8-14)19(25)16-2-1-11-26-16/h1-6,11,14H,7-10,12H2,(H2,20,23)(H,21,24)
InChIKeyURKPJJUJJCRCNO-UHFFFAOYSA-N
XLogP2.27
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075464
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 39279841
1-(thiophene-2-carbonyl)-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide
CID 31520919
1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 750217
N-(3-chloro-4-fluorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075518
diethyl 5-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 46563548
N-[3,5-bis(trifluoromethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 27844264
N-ethoxy-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 18169040
N-(9H-fluoren-2-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 46817722
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 58866702
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224174
N-[4-(cyclohexylsulfamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224205

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (CID 31857710) is N-[4-(2-amino-2-oxoethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is NC(=O)Cc1ccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is URKPJJUJJCRCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c20-17(23)12-13-3-5-15(6-4-13)21-18(24)14-7-9-22(10-8-14)19(25)16-2-1-11-26-16/h1-6,11,14H,7-10,12H2,(H2,20,23)(H,21,24).
What are the key properties of N-[4-(2-amino-2-oxoethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 31857710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).