N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide

C22H24N4O2S — CID 24792052

IUPACN-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)C3CCCCN3C(=O)c3cccs3)cc2)n1
InChIInChI=1S/C22H24N4O2S/c1-15-14-16(2)26(24-15)18-10-8-17(9-11-18)23-21(27)19-6-3-4-12-25(19)22(28)20-7-5-13-29-20/h5,7-11,13-14,19H,3-4,6,12H2,1-2H3,(H,23,27)
InChIKeyUWVIARNKWVLVEC-UHFFFAOYSA-N
MW408.53 g/mol
LogP4.18
Rot. Bonds4

About N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide

N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide (PubChem CID 24792052) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
PubChem CID24792052
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC NameN-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)C3CCCCN3C(=O)c3cccs3)cc2)n1
InChIInChI=1S/C22H24N4O2S/c1-15-14-16(2)26(24-15)18-10-8-17(9-11-18)23-21(27)19-6-3-4-12-25(19)22(28)20-7-5-13-29-20/h5,7-11,13-14,19H,3-4,6,12H2,1-2H3,(H,23,27)
InChIKeyUWVIARNKWVLVEC-UHFFFAOYSA-N
XLogP4.18
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The IUPAC name of N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide (CID 24792052) is N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide is Cc1cc(C)n(-c2ccc(NC(=O)C3CCCCN3C(=O)c3cccs3)cc2)n1.
What is the InChIKey of N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The InChIKey is UWVIARNKWVLVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-15-14-16(2)26(24-15)18-10-8-17(9-11-18)23-21(27)19-6-3-4-12-25(19)22(28)20-7-5-13-29-20/h5,7-11,13-14,19H,3-4,6,12H2,1-2H3,(H,23,27).
What are the key properties of N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide has a molecular weight of 408.53 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 24792052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).