2-oxo-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(4-pyridin-4-yloxyphenyl)acetamide

C21H21N5O3 — CID 119042237

IUPAC2-oxo-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(4-pyridin-4-yloxyphenyl)acetamide
SMILESO=C(Nc1ccc(Oc2ccncc2)cc1)C(=O)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C21H21N5O3/c27-20(21(28)26-13-1-2-15(14-26)19-9-12-23-25-19)24-16-3-5-17(6-4-16)29-18-7-10-22-11-8-18/h3-12,15H,1-2,13-14H2,(H,23,25)(H,24,27)
InChIKeyRFEQMJKBJQKIIY-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.94
Rot. Bonds4

About 2-oxo-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(4-pyridin-4-yloxyphenyl)acetamide

2-oxo-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(4-pyridin-4-yloxyphenyl)acetamide (PubChem CID 119042237) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is 2-oxo-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(4-pyridin-4-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-oxo-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(4-pyridin-4-yloxyphenyl)acetamide
PubChem CID119042237
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC Name2-oxo-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(4-pyridin-4-yloxyphenyl)acetamide
SMILESO=C(Nc1ccc(Oc2ccncc2)cc1)C(=O)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C21H21N5O3/c27-20(21(28)26-13-1-2-15(14-26)19-9-12-23-25-19)24-16-3-5-17(6-4-16)29-18-7-10-22-11-8-18/h3-12,15H,1-2,13-14H2,(H,23,25)(H,24,27)
InChIKeyRFEQMJKBJQKIIY-UHFFFAOYSA-N
XLogP2.94
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-phenylphenyl)-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 166207366
cyclopropyl-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 62866717
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071
(3R)-3-(1H-pyrazol-5-yl)-N-[4-(triazol-1-yl)phenyl]piperidine-1-carboxamide
CID 124562913
N-[4-(4-cyanophenoxy)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 99697397
[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 95841606
2,2-difluoro-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 103514888
N-[4-methoxy-3-(methylcarbamoyl)phenyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 118762325
3-(4-fluorophenoxy)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 95768716
cyclopent-3-en-1-yl-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95775037
2-oxo-N-(4-phenoxyphenyl)-2-pyrrolidin-1-ylacetamide
CID 108511608
(4,4-difluorocyclohexyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110271226

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(4-pyridin-4-yloxyphenyl)acetamide?
The IUPAC name of 2-oxo-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(4-pyridin-4-yloxyphenyl)acetamide (CID 119042237) is 2-oxo-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(4-pyridin-4-yloxyphenyl)acetamide.
What is the SMILES notation for 2-oxo-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(4-pyridin-4-yloxyphenyl)acetamide?
The canonical SMILES for 2-oxo-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(4-pyridin-4-yloxyphenyl)acetamide is O=C(Nc1ccc(Oc2ccncc2)cc1)C(=O)N1CCCC(c2ccn[nH]2)C1.
What is the InChIKey of 2-oxo-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(4-pyridin-4-yloxyphenyl)acetamide?
The InChIKey is RFEQMJKBJQKIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c27-20(21(28)26-13-1-2-15(14-26)19-9-12-23-25-19)24-16-3-5-17(6-4-16)29-18-7-10-22-11-8-18/h3-12,15H,1-2,13-14H2,(H,23,25)(H,24,27).
What are the key properties of 2-oxo-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(4-pyridin-4-yloxyphenyl)acetamide?
2-oxo-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(4-pyridin-4-yloxyphenyl)acetamide has a molecular weight of 391.43 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(4-pyridin-4-yloxyphenyl)acetamide is sourced from PubChem (CID 119042237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).