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

C23H26N4O2S — CID 42244842

IUPACN-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)C3CCN(C(=O)Cc4ccsc4)CC3)cc2)n1
InChIInChI=1S/C23H26N4O2S/c1-16-13-17(2)27(25-16)21-5-3-20(4-6-21)24-23(29)19-7-10-26(11-8-19)22(28)14-18-9-12-30-15-18/h3-6,9,12-13,15,19H,7-8,10-11,14H2,1-2H3,(H,24,29)
InChIKeyIZQROYJJRIQGQF-UHFFFAOYSA-N
MW422.55 g/mol
LogP3.97
Rot. Bonds5

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

N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxamide (PubChem CID 42244842) 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-(2-thiophen-3-ylacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxamide
PubChem CID42244842
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC NameN-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)C3CCN(C(=O)Cc4ccsc4)CC3)cc2)n1
InChIInChI=1S/C23H26N4O2S/c1-16-13-17(2)27(25-16)21-5-3-20(4-6-21)24-23(29)19-7-10-26(11-8-19)22(28)14-18-9-12-30-15-18/h3-6,9,12-13,15,19H,7-8,10-11,14H2,1-2H3,(H,24,29)
InChIKeyIZQROYJJRIQGQF-UHFFFAOYSA-N
XLogP3.97
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 72933390
(2S)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(thiophene-3-carbonyl)piperidine-2-carboxamide
CID 42566316
N-[4-[(2-thiophen-3-ylacetyl)amino]phenyl]cyclopropanecarboxamide
CID 18140749
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(thian-4-yl)piperidine-2-carboxamide
CID 45235295
N-(4-acetamidophenyl)-1-[2-(4-fluorophenyl)acetyl]piperidine-4-carboxamide
CID 113007926
(2R)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-hydroxyethyl)piperidine-2-carboxamide
CID 97280925
(2S)-1-(cyclopropylmethyl)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-2-carboxamide
CID 42377399
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-prop-2-enoylpiperidine-4-carboxamide
CID 166405576
(2S)-1-(3-acetamidopropanoyl)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-2-carboxamide
CID 42461240
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(1,3-thiazole-4-carbonyl)piperidine-2-carboxamide
CID 45201340
1-[2-(4-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 26462642
(3S)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 37037042

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxamide?
The IUPAC name of N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxamide (CID 42244842) is N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxamide is Cc1cc(C)n(-c2ccc(NC(=O)C3CCN(C(=O)Cc4ccsc4)CC3)cc2)n1.
What is the InChIKey of N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxamide?
The InChIKey is IZQROYJJRIQGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-16-13-17(2)27(25-16)21-5-3-20(4-6-21)24-23(29)19-7-10-26(11-8-19)22(28)14-18-9-12-30-15-18/h3-6,9,12-13,15,19H,7-8,10-11,14H2,1-2H3,(H,24,29).
What are the key properties of N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxamide?
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxamide has a molecular weight of 422.55 g/mol, XLogP of 3.97, 5 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-(2-thiophen-3-ylacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 42244842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).