1-[4-acetamido-1-(4-chlorophenyl)-3-methylpyrazol-5-yl]-N-[2-(3-methylphenyl)ethyl]piperidine-4-carboxamide

C27H32ClN5O2 — CID 46358720

IUPAC1-[4-acetamido-1-(4-chlorophenyl)-3-methylpyrazol-5-yl]-N-[2-(3-methylphenyl)ethyl]piperidine-4-carboxamide
SMILESCC(=O)Nc1c(C)nn(-c2ccc(Cl)cc2)c1N1CCC(C(=O)NCCc2cccc(C)c2)CC1
InChIInChI=1S/C27H32ClN5O2/c1-18-5-4-6-21(17-18)11-14-29-26(35)22-12-15-32(16-13-22)27-25(30-20(3)34)19(2)31-33(27)24-9-7-23(28)8-10-24/h4-10,17,22H,11-16H2,1-3H3,(H,29,35)(H,30,34)
InChIKeyIIAQVJTVCUIZQM-UHFFFAOYSA-N
MW494.04 g/mol
LogP4.68
Rot. Bonds7

About 1-[4-acetamido-1-(4-chlorophenyl)-3-methylpyrazol-5-yl]-N-[2-(3-methylphenyl)ethyl]piperidine-4-carboxamide

1-[4-acetamido-1-(4-chlorophenyl)-3-methylpyrazol-5-yl]-N-[2-(3-methylphenyl)ethyl]piperidine-4-carboxamide (PubChem CID 46358720) has the molecular formula C27H32ClN5O2 and a molecular weight of 494.04 g/mol. Its IUPAC name is 1-[4-acetamido-1-(4-chlorophenyl)-3-methylpyrazol-5-yl]-N-[2-(3-methylphenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-acetamido-1-(4-chlorophenyl)-3-methylpyrazol-5-yl]-N-[2-(3-methylphenyl)ethyl]piperidine-4-carboxamide
PubChem CID46358720
Molecular FormulaC27H32ClN5O2
Molecular Weight494.04 g/mol
Exact Mass493.22
IUPAC Name1-[4-acetamido-1-(4-chlorophenyl)-3-methylpyrazol-5-yl]-N-[2-(3-methylphenyl)ethyl]piperidine-4-carboxamide
SMILESCC(=O)Nc1c(C)nn(-c2ccc(Cl)cc2)c1N1CCC(C(=O)NCCc2cccc(C)c2)CC1
InChIInChI=1S/C27H32ClN5O2/c1-18-5-4-6-21(17-18)11-14-29-26(35)22-12-15-32(16-13-22)27-25(30-20(3)34)19(2)31-33(27)24-9-7-23(28)8-10-24/h4-10,17,22H,11-16H2,1-3H3,(H,29,35)(H,30,34)
InChIKeyIIAQVJTVCUIZQM-UHFFFAOYSA-N
XLogP4.68
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.04
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-1-[3-methyl-1-phenyl-4-(propanoylamino)pyrazol-5-yl]piperidine-4-carboxamide
CID 46358581
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-(3-methylphenyl)piperidine-4-carboxamide
CID 46358544
N-[(3-chlorophenyl)methyl]-1-[3-methyl-1-phenyl-4-(propanoylamino)pyrazol-5-yl]piperidine-4-carboxamide
CID 46358570
1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-[3-(azepan-1-yl)propyl]piperidine-4-carboxamide
CID 22581292
1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-prop-2-enylpiperidine-4-carboxamide
CID 46358533
1-[4-acetamido-1-(4-chlorophenyl)-3-methylpyrazol-5-yl]-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide
CID 46358721
1-[1-(4-chlorophenyl)-3-methyl-4-(propanoylamino)pyrazol-5-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 46358687
N-[2-(3-chlorophenyl)ethyl]-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113005954
1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide
CID 46358567
N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 1442114
4-amino-N-[2-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 55062327

Frequently Asked Questions

What is the IUPAC name of 1-[4-acetamido-1-(4-chlorophenyl)-3-methylpyrazol-5-yl]-N-[2-(3-methylphenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-acetamido-1-(4-chlorophenyl)-3-methylpyrazol-5-yl]-N-[2-(3-methylphenyl)ethyl]piperidine-4-carboxamide (CID 46358720) is 1-[4-acetamido-1-(4-chlorophenyl)-3-methylpyrazol-5-yl]-N-[2-(3-methylphenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-acetamido-1-(4-chlorophenyl)-3-methylpyrazol-5-yl]-N-[2-(3-methylphenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-acetamido-1-(4-chlorophenyl)-3-methylpyrazol-5-yl]-N-[2-(3-methylphenyl)ethyl]piperidine-4-carboxamide is CC(=O)Nc1c(C)nn(-c2ccc(Cl)cc2)c1N1CCC(C(=O)NCCc2cccc(C)c2)CC1.
What is the InChIKey of 1-[4-acetamido-1-(4-chlorophenyl)-3-methylpyrazol-5-yl]-N-[2-(3-methylphenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is IIAQVJTVCUIZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32ClN5O2/c1-18-5-4-6-21(17-18)11-14-29-26(35)22-12-15-32(16-13-22)27-25(30-20(3)34)19(2)31-33(27)24-9-7-23(28)8-10-24/h4-10,17,22H,11-16H2,1-3H3,(H,29,35)(H,30,34).
What are the key properties of 1-[4-acetamido-1-(4-chlorophenyl)-3-methylpyrazol-5-yl]-N-[2-(3-methylphenyl)ethyl]piperidine-4-carboxamide?
1-[4-acetamido-1-(4-chlorophenyl)-3-methylpyrazol-5-yl]-N-[2-(3-methylphenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 494.04 g/mol, XLogP of 4.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-acetamido-1-(4-chlorophenyl)-3-methylpyrazol-5-yl]-N-[2-(3-methylphenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 46358720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).