3-(4-carbamoyl-1-phenylpyrazol-3-yl)-N-[(3-hydroxyphenyl)methyl]piperidine-1-carboxamide

C23H25N5O3 — CID 128993642

IUPAC3-(4-carbamoyl-1-phenylpyrazol-3-yl)-N-[(3-hydroxyphenyl)methyl]piperidine-1-carboxamide
SMILESNC(=O)c1cn(-c2ccccc2)nc1C1CCCN(C(=O)NCc2cccc(O)c2)C1
InChIInChI=1S/C23H25N5O3/c24-22(30)20-15-28(18-8-2-1-3-9-18)26-21(20)17-7-5-11-27(14-17)23(31)25-13-16-6-4-10-19(29)12-16/h1-4,6,8-10,12,15,17,29H,5,7,11,13-14H2,(H2,24,30)(H,25,31)
InChIKeyQKNXBRGCOYHXRH-UHFFFAOYSA-N
MW419.49 g/mol
LogP2.77
Rot. Bonds5

About 3-(4-carbamoyl-1-phenylpyrazol-3-yl)-N-[(3-hydroxyphenyl)methyl]piperidine-1-carboxamide

3-(4-carbamoyl-1-phenylpyrazol-3-yl)-N-[(3-hydroxyphenyl)methyl]piperidine-1-carboxamide (PubChem CID 128993642) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is 3-(4-carbamoyl-1-phenylpyrazol-3-yl)-N-[(3-hydroxyphenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(4-carbamoyl-1-phenylpyrazol-3-yl)-N-[(3-hydroxyphenyl)methyl]piperidine-1-carboxamide
PubChem CID128993642
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name3-(4-carbamoyl-1-phenylpyrazol-3-yl)-N-[(3-hydroxyphenyl)methyl]piperidine-1-carboxamide
SMILESNC(=O)c1cn(-c2ccccc2)nc1C1CCCN(C(=O)NCc2cccc(O)c2)C1
InChIInChI=1S/C23H25N5O3/c24-22(30)20-15-28(18-8-2-1-3-9-18)26-21(20)17-7-5-11-27(14-17)23(31)25-13-16-6-4-10-19(29)12-16/h1-4,6,8-10,12,15,17,29H,5,7,11,13-14H2,(H2,24,30)(H,25,31)
InChIKeyQKNXBRGCOYHXRH-UHFFFAOYSA-N
XLogP2.77
TPSA113.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-carbamoyl-1-phenylpyrazol-3-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 167920055
3-(4-carbamoyl-1-methylpyrazol-3-yl)-N-[(3-pyridin-2-ylphenyl)methyl]piperidine-1-carboxamide
CID 128968811
3-[1-(2-fluoro-2-methylpropanoyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide
CID 128989170
3-[1-(5-methylsulfanylfuran-2-carbonyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide
CID 128991468
N-ethyl-3-[(3R)-1-(2-hydroxybenzoyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide
CID 129323745
N-benzyl-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide
CID 121021056
3-[(3R)-1-(4-fluoro-2-nitrophenyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide
CID 129323533
3-[(3S)-1-(3-aminopyrazine-2-carbonyl)piperidin-3-yl]-N-ethyl-1-phenylpyrazole-4-carboxamide
CID 129323530
N-[(3-hydroxyphenyl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide
CID 146122921
N-benzyl-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 166186970
3-[(3R)-1-(2-anilinobenzoyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 129325046
N-ethyl-1-phenyl-3-[(3R)-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]pyrazole-4-carboxamide
CID 129324409

Frequently Asked Questions

What is the IUPAC name of 3-(4-carbamoyl-1-phenylpyrazol-3-yl)-N-[(3-hydroxyphenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of 3-(4-carbamoyl-1-phenylpyrazol-3-yl)-N-[(3-hydroxyphenyl)methyl]piperidine-1-carboxamide (CID 128993642) is 3-(4-carbamoyl-1-phenylpyrazol-3-yl)-N-[(3-hydroxyphenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-(4-carbamoyl-1-phenylpyrazol-3-yl)-N-[(3-hydroxyphenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 3-(4-carbamoyl-1-phenylpyrazol-3-yl)-N-[(3-hydroxyphenyl)methyl]piperidine-1-carboxamide is NC(=O)c1cn(-c2ccccc2)nc1C1CCCN(C(=O)NCc2cccc(O)c2)C1.
What is the InChIKey of 3-(4-carbamoyl-1-phenylpyrazol-3-yl)-N-[(3-hydroxyphenyl)methyl]piperidine-1-carboxamide?
The InChIKey is QKNXBRGCOYHXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c24-22(30)20-15-28(18-8-2-1-3-9-18)26-21(20)17-7-5-11-27(14-17)23(31)25-13-16-6-4-10-19(29)12-16/h1-4,6,8-10,12,15,17,29H,5,7,11,13-14H2,(H2,24,30)(H,25,31).
What are the key properties of 3-(4-carbamoyl-1-phenylpyrazol-3-yl)-N-[(3-hydroxyphenyl)methyl]piperidine-1-carboxamide?
3-(4-carbamoyl-1-phenylpyrazol-3-yl)-N-[(3-hydroxyphenyl)methyl]piperidine-1-carboxamide has a molecular weight of 419.49 g/mol, XLogP of 2.77, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-carbamoyl-1-phenylpyrazol-3-yl)-N-[(3-hydroxyphenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 128993642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).