1-[4-acetamido-1-(4-chlorophenyl)-3-methylpyrazol-5-yl]-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide

C26H32ClN5O2S — CID 46358721

IUPAC1-[4-acetamido-1-(4-chlorophenyl)-3-methylpyrazol-5-yl]-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide
SMILESCC(=O)Nc1c(C)nn(-c2ccc(Cl)cc2)c1N1CCC(C(=O)NC(c2cccs2)C(C)C)CC1
InChIInChI=1S/C26H32ClN5O2S/c1-16(2)23(22-6-5-15-35-22)29-25(34)19-11-13-31(14-12-19)26-24(28-18(4)33)17(3)30-32(26)21-9-7-20(27)8-10-21/h5-10,15-16,19,23H,11-14H2,1-4H3,(H,28,33)(H,29,34)
InChIKeyTZAIOKFLAFYHLE-UHFFFAOYSA-N
MW514.10 g/mol
LogP5.58
Rot. Bonds7

About 1-[4-acetamido-1-(4-chlorophenyl)-3-methylpyrazol-5-yl]-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide

1-[4-acetamido-1-(4-chlorophenyl)-3-methylpyrazol-5-yl]-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide (PubChem CID 46358721) has the molecular formula C26H32ClN5O2S and a molecular weight of 514.10 g/mol. Its IUPAC name is 1-[4-acetamido-1-(4-chlorophenyl)-3-methylpyrazol-5-yl]-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-acetamido-1-(4-chlorophenyl)-3-methylpyrazol-5-yl]-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide
PubChem CID46358721
Molecular FormulaC26H32ClN5O2S
Molecular Weight514.10 g/mol
Exact Mass513.20
IUPAC Name1-[4-acetamido-1-(4-chlorophenyl)-3-methylpyrazol-5-yl]-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide
SMILESCC(=O)Nc1c(C)nn(-c2ccc(Cl)cc2)c1N1CCC(C(=O)NC(c2cccs2)C(C)C)CC1
InChIInChI=1S/C26H32ClN5O2S/c1-16(2)23(22-6-5-15-35-22)29-25(34)19-11-13-31(14-12-19)26-24(28-18(4)33)17(3)30-32(26)21-9-7-20(27)8-10-21/h5-10,15-16,19,23H,11-14H2,1-4H3,(H,28,33)(H,29,34)
InChIKeyTZAIOKFLAFYHLE-UHFFFAOYSA-N
XLogP5.58
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.10
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-acetamido-1-(4-chlorophenyl)-3-methylpyrazol-5-yl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 46358715
1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 46358506
1-[4-acetamido-1-(4-chlorophenyl)-3-methylpyrazol-5-yl]-N-[2-(3-methylphenyl)ethyl]piperidine-4-carboxamide
CID 46358720
N-[2-(4-chlorophenyl)ethyl]-1-[3-methyl-1-phenyl-4-(propanoylamino)pyrazol-5-yl]piperidine-4-carboxamide
CID 46358581
1-[3-methyl-1-phenyl-4-(propanoylamino)pyrazol-5-yl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 92876422
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide
CID 55397767
1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-prop-2-enylpiperidine-4-carboxamide
CID 46358533
1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 46358544
1-[1-(4-chlorophenyl)-3-methyl-4-(propanoylamino)pyrazol-5-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 46358687
4-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 26462883
N-(2-methyl-1-thiophen-2-ylpropyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 17462186
N-[1-(4-chlorophenyl)-2-methylpropyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 46693048

Frequently Asked Questions

What is the IUPAC name of 1-[4-acetamido-1-(4-chlorophenyl)-3-methylpyrazol-5-yl]-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[4-acetamido-1-(4-chlorophenyl)-3-methylpyrazol-5-yl]-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide (CID 46358721) is 1-[4-acetamido-1-(4-chlorophenyl)-3-methylpyrazol-5-yl]-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-acetamido-1-(4-chlorophenyl)-3-methylpyrazol-5-yl]-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[4-acetamido-1-(4-chlorophenyl)-3-methylpyrazol-5-yl]-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide is CC(=O)Nc1c(C)nn(-c2ccc(Cl)cc2)c1N1CCC(C(=O)NC(c2cccs2)C(C)C)CC1.
What is the InChIKey of 1-[4-acetamido-1-(4-chlorophenyl)-3-methylpyrazol-5-yl]-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide?
The InChIKey is TZAIOKFLAFYHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClN5O2S/c1-16(2)23(22-6-5-15-35-22)29-25(34)19-11-13-31(14-12-19)26-24(28-18(4)33)17(3)30-32(26)21-9-7-20(27)8-10-21/h5-10,15-16,19,23H,11-14H2,1-4H3,(H,28,33)(H,29,34).
What are the key properties of 1-[4-acetamido-1-(4-chlorophenyl)-3-methylpyrazol-5-yl]-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide?
1-[4-acetamido-1-(4-chlorophenyl)-3-methylpyrazol-5-yl]-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide has a molecular weight of 514.10 g/mol, XLogP of 5.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-acetamido-1-(4-chlorophenyl)-3-methylpyrazol-5-yl]-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 46358721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).