N-[2-methyl-3-(methylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

C20H23N3O3S — CID 46461736

IUPACN-[2-methyl-3-(methylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)C2CCCN(C(=O)c3cccs3)C2)c1C
InChIInChI=1S/C20H23N3O3S/c1-13-15(19(25)21-2)7-3-8-16(13)22-18(24)14-6-4-10-23(12-14)20(26)17-9-5-11-27-17/h3,5,7-9,11,14H,4,6,10,12H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyKWZLPOQEZBYBSM-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.91
Rot. Bonds4

About N-[2-methyl-3-(methylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

N-[2-methyl-3-(methylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (PubChem CID 46461736) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-[2-methyl-3-(methylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-3-(methylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
PubChem CID46461736
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC NameN-[2-methyl-3-(methylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)C2CCCN(C(=O)c3cccs3)C2)c1C
InChIInChI=1S/C20H23N3O3S/c1-13-15(19(25)21-2)7-3-8-16(13)22-18(24)14-6-4-10-23(12-14)20(26)17-9-5-11-27-17/h3,5,7-9,11,14H,4,6,10,12H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyKWZLPOQEZBYBSM-UHFFFAOYSA-N
XLogP2.91
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-3-(methylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 86983132
N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 46559191
N-[2-(propan-2-ylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55672694
N-(2-iodophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55559011
(3S)-N-(2,4-dimethylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 95160432
N-(2-fluoro-5-methylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134062205
N-[2-(4-methylphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55558530
N-(2-methoxy-5-methylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55558789
N'-(2-hydroxybenzoyl)-1-(thiophene-2-carbonyl)piperidine-3-carbohydrazide
CID 46556792
N-(6-acetyl-1,3-benzodioxol-5-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 46557481
1-(benzenesulfonyl)-N-[2-methyl-3-(methylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 46461883
N-(4-bromophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946615

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(methylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-[2-methyl-3-(methylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (CID 46461736) is N-[2-methyl-3-(methylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[2-methyl-3-(methylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[2-methyl-3-(methylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is CNC(=O)c1cccc(NC(=O)C2CCCN(C(=O)c3cccs3)C2)c1C.
What is the InChIKey of N-[2-methyl-3-(methylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is KWZLPOQEZBYBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-13-15(19(25)21-2)7-3-8-16(13)22-18(24)14-6-4-10-23(12-14)20(26)17-9-5-11-27-17/h3,5,7-9,11,14H,4,6,10,12H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of N-[2-methyl-3-(methylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
N-[2-methyl-3-(methylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(methylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 46461736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).