1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide

C28H35N5O3 — CID 46358567

IUPAC1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCCCOc1ccc(CNC(=O)C2CCN(c3c(NC(C)=O)c(C)nn3-c3ccccc3)CC2)cc1
InChIInChI=1S/C28H35N5O3/c1-4-18-36-25-12-10-22(11-13-25)19-29-27(35)23-14-16-32(17-15-23)28-26(30-21(3)34)20(2)31-33(28)24-8-6-5-7-9-24/h5-13,23H,4,14-19H2,1-3H3,(H,29,35)(H,30,34)
InChIKeyPAGUSNBRBATJSB-UHFFFAOYSA-N
MW489.62 g/mol
LogP4.46
Rot. Bonds9

About 1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide

1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 46358567) has the molecular formula C28H35N5O3 and a molecular weight of 489.62 g/mol. Its IUPAC name is 1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID46358567
Molecular FormulaC28H35N5O3
Molecular Weight489.62 g/mol
Exact Mass489.27
IUPAC Name1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCCCOc1ccc(CNC(=O)C2CCN(c3c(NC(C)=O)c(C)nn3-c3ccccc3)CC2)cc1
InChIInChI=1S/C28H35N5O3/c1-4-18-36-25-12-10-22(11-13-25)19-29-27(35)23-14-16-32(17-15-23)28-26(30-21(3)34)20(2)31-33(28)24-8-6-5-7-9-24/h5-13,23H,4,14-19H2,1-3H3,(H,29,35)(H,30,34)
InChIKeyPAGUSNBRBATJSB-UHFFFAOYSA-N
XLogP4.46
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.62
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-prop-2-enylpiperidine-4-carboxamide
CID 46358533
1-(5-phenylpyrimidin-2-yl)-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide
CID 53107338
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
4-[(4-propoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120690624
1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]piperidine-4-carboxamide
CID 92876417
N-[2-(4-chlorophenyl)ethyl]-1-[3-methyl-1-phenyl-4-(propanoylamino)pyrazol-5-yl]piperidine-4-carboxamide
CID 46358581
1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 46358544
N-(2,4-dimethoxyphenyl)-1-[3-methyl-1-phenyl-4-(propanoylamino)pyrazol-5-yl]piperidine-4-carboxamide
CID 46358585
1-[3-methyl-1-phenyl-4-(propanoylamino)pyrazol-5-yl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 92876422
1-[6-(4-ethylphenoxy)pyrimidin-4-yl]-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide
CID 53367115
1-[4-acetamido-1-(4-chlorophenyl)-3-methylpyrazol-5-yl]-N-[2-(3-methylphenyl)ethyl]piperidine-4-carboxamide
CID 46358720

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide (CID 46358567) is 1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide is CCCOc1ccc(CNC(=O)C2CCN(c3c(NC(C)=O)c(C)nn3-c3ccccc3)CC2)cc1.
What is the InChIKey of 1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is PAGUSNBRBATJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O3/c1-4-18-36-25-12-10-22(11-13-25)19-29-27(35)23-14-16-32(17-15-23)28-26(30-21(3)34)20(2)31-33(28)24-8-6-5-7-9-24/h5-13,23H,4,14-19H2,1-3H3,(H,29,35)(H,30,34).
What are the key properties of 1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide?
1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 489.62 g/mol, XLogP of 4.46, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 46358567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).