1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide

C27H31FN4O2 — CID 55963310

IUPAC1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(C(=O)Cc3c(C)nn(-c4ccccc4)c3C)CC2)cc1F
InChIInChI=1S/C27H31FN4O2/c1-18-9-10-21(15-25(18)28)17-29-27(34)22-11-13-31(14-12-22)26(33)16-24-19(2)30-32(20(24)3)23-7-5-4-6-8-23/h4-10,15,22H,11-14,16-17H2,1-3H3,(H,29,34)
InChIKeyGEWVBYNRXMTODG-UHFFFAOYSA-N
MW462.57 g/mol
LogP4.03
Rot. Bonds6

About 1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide

1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 55963310) has the molecular formula C27H31FN4O2 and a molecular weight of 462.57 g/mol. Its IUPAC name is 1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide
PubChem CID55963310
Molecular FormulaC27H31FN4O2
Molecular Weight462.57 g/mol
Exact Mass462.24
IUPAC Name1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(C(=O)Cc3c(C)nn(-c4ccccc4)c3C)CC2)cc1F
InChIInChI=1S/C27H31FN4O2/c1-18-9-10-21(15-25(18)28)17-29-27(34)22-11-13-31(14-12-22)26(33)16-24-19(2)30-32(20(24)3)23-7-5-4-6-8-23/h4-10,15,22H,11-14,16-17H2,1-3H3,(H,29,34)
InChIKeyGEWVBYNRXMTODG-UHFFFAOYSA-N
XLogP4.03
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-[(3-fluoro-4-methylphenyl)methyl]-1-[2-(methylamino)acetyl]piperidine-4-carboxamide
CID 119720842
1-(3-amino-3-phenylpropanoyl)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide
CID 119949794
N-[(3-fluoro-4-methylphenyl)methyl]-1-[2-(4-sulfamoylphenyl)acetyl]piperidine-4-carboxamide
CID 56553008
1-[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperidine-4-carboxylic acid
CID 119166161
1-[3-(2-aminophenyl)propanoyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120608968
1-(4-aminopiperidin-1-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethanone;hydrochloride
CID 119376663
1-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide
CID 55724551
2-[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperidin-4-yl]acetic acid
CID 119177850
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-(4-methoxypiperidin-1-yl)ethanone
CID 56810569
1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[(3-fluoro-4-methylphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111845504
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-fluoro-4-methylbenzamide
CID 8531507
N-[(3-fluoro-4-methylphenyl)methyl]-1-(5-phenyl-1H-pyrazole-4-carbonyl)piperidine-4-carboxamide
CID 55724707

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide (CID 55963310) is 1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide is Cc1ccc(CNC(=O)C2CCN(C(=O)Cc3c(C)nn(-c4ccccc4)c3C)CC2)cc1F.
What is the InChIKey of 1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is GEWVBYNRXMTODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN4O2/c1-18-9-10-21(15-25(18)28)17-29-27(34)22-11-13-31(14-12-22)26(33)16-24-19(2)30-32(20(24)3)23-7-5-4-6-8-23/h4-10,15,22H,11-14,16-17H2,1-3H3,(H,29,34).
What are the key properties of 1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide?
1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 462.57 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 55963310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).