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

C23H26N4O2S — CID 24794128

IUPACN-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)C3CCCCN3C(=O)c3sccc3C)cc2)n1
InChIInChI=1S/C23H26N4O2S/c1-15-11-13-30-21(15)23(29)26-12-5-4-6-20(26)22(28)24-18-7-9-19(10-8-18)27-17(3)14-16(2)25-27/h7-11,13-14,20H,4-6,12H2,1-3H3,(H,24,28)
InChIKeyHTGHNJTYFYUNAR-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.49
Rot. Bonds4

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

N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxamide (PubChem CID 24794128) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxamide
PubChem CID24794128
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC NameN-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)C3CCCCN3C(=O)c3sccc3C)cc2)n1
InChIInChI=1S/C23H26N4O2S/c1-15-11-13-30-21(15)23(29)26-12-5-4-6-20(26)22(28)24-18-7-9-19(10-8-18)27-17(3)14-16(2)25-27/h7-11,13-14,20H,4-6,12H2,1-3H3,(H,24,28)
InChIKeyHTGHNJTYFYUNAR-UHFFFAOYSA-N
XLogP4.49
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.49
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-(3-methylthiophene-2-carbonyl)piperidine-2-carboxamide?
The IUPAC name of N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxamide (CID 24794128) is N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxamide is Cc1cc(C)n(-c2ccc(NC(=O)C3CCCCN3C(=O)c3sccc3C)cc2)n1.
What is the InChIKey of N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxamide?
The InChIKey is HTGHNJTYFYUNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-15-11-13-30-21(15)23(29)26-12-5-4-6-20(26)22(28)24-18-7-9-19(10-8-18)27-17(3)14-16(2)25-27/h7-11,13-14,20H,4-6,12H2,1-3H3,(H,24,28).
What are the key properties of N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxamide?
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxamide has a molecular weight of 422.55 g/mol, XLogP of 4.49, 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-(3-methylthiophene-2-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 24794128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).