N-[2-(propan-2-ylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

C21H25N3O3S — CID 55672694

IUPACN-[2-(propan-2-ylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCC(C)NC(=O)c1ccccc1NC(=O)C1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C21H25N3O3S/c1-14(2)22-20(26)16-8-3-4-9-17(16)23-19(25)15-7-5-11-24(13-15)21(27)18-10-6-12-28-18/h3-4,6,8-10,12,14-15H,5,7,11,13H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyKCXJEFHVJMTECY-UHFFFAOYSA-N
MW399.52 g/mol
LogP3.38
Rot. Bonds5

About N-[2-(propan-2-ylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

N-[2-(propan-2-ylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (PubChem CID 55672694) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is N-[2-(propan-2-ylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(propan-2-ylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
PubChem CID55672694
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC NameN-[2-(propan-2-ylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCC(C)NC(=O)c1ccccc1NC(=O)C1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C21H25N3O3S/c1-14(2)22-20(26)16-8-3-4-9-17(16)23-19(25)15-7-5-11-24(13-15)21(27)18-10-6-12-28-18/h3-4,6,8-10,12,14-15H,5,7,11,13H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyKCXJEFHVJMTECY-UHFFFAOYSA-N
XLogP3.38
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 53.38
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-3-carboxamide
CID 46461736
N-(2-iodophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55559011
(3S)-N-[2-(propan-2-ylcarbamoyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 31942892
N'-(2-hydroxybenzoyl)-1-(thiophene-2-carbonyl)piperidine-3-carbohydrazide
CID 46556792
N-[2-(4-methylphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55558530
N-(4-propan-2-ylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946825
(3S)-N-(2,4-dimethylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 95160432
(3S)-1-(thiophene-2-carbonyl)-N'-[2-(trifluoromethyl)phenyl]piperidine-3-carbohydrazide
CID 39982573
(3S)-N-[(2R)-4-methylpentan-2-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 97013445
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-methoxy-5-methylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55558789
N-(dicyclopropylmethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43057486

Frequently Asked Questions

What is the IUPAC name of N-[2-(propan-2-ylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-[2-(propan-2-ylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (CID 55672694) is N-[2-(propan-2-ylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(propan-2-ylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[2-(propan-2-ylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is CC(C)NC(=O)c1ccccc1NC(=O)C1CCCN(C(=O)c2cccs2)C1.
What is the InChIKey of N-[2-(propan-2-ylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is KCXJEFHVJMTECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c1-14(2)22-20(26)16-8-3-4-9-17(16)23-19(25)15-7-5-11-24(13-15)21(27)18-10-6-12-28-18/h3-4,6,8-10,12,14-15H,5,7,11,13H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of N-[2-(propan-2-ylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
N-[2-(propan-2-ylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 399.52 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(propan-2-ylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 55672694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).