4-oxo-5-phenylmethoxy-N-pyridin-3-ylpiperidine-2-carboxamide

C18H19N3O3 — CID 75949315

IUPAC4-oxo-5-phenylmethoxy-N-pyridin-3-ylpiperidine-2-carboxamide
SMILESO=C(Nc1cccnc1)C1CC(=O)C(OCc2ccccc2)CN1
InChIInChI=1S/C18H19N3O3/c22-16-9-15(18(23)21-14-7-4-8-19-10-14)20-11-17(16)24-12-13-5-2-1-3-6-13/h1-8,10,15,17,20H,9,11-12H2,(H,21,23)
InChIKeyIQIWMUZZHMGJEX-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.54
Rot. Bonds5

About 4-oxo-5-phenylmethoxy-N-pyridin-3-ylpiperidine-2-carboxamide

4-oxo-5-phenylmethoxy-N-pyridin-3-ylpiperidine-2-carboxamide (PubChem CID 75949315) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 4-oxo-5-phenylmethoxy-N-pyridin-3-ylpiperidine-2-carboxamide.

Molecular Properties

Compound Name4-oxo-5-phenylmethoxy-N-pyridin-3-ylpiperidine-2-carboxamide
PubChem CID75949315
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name4-oxo-5-phenylmethoxy-N-pyridin-3-ylpiperidine-2-carboxamide
SMILESO=C(Nc1cccnc1)C1CC(=O)C(OCc2ccccc2)CN1
InChIInChI=1S/C18H19N3O3/c22-16-9-15(18(23)21-14-7-4-8-19-10-14)20-11-17(16)24-12-13-5-2-1-3-6-13/h1-8,10,15,17,20H,9,11-12H2,(H,21,23)
InChIKeyIQIWMUZZHMGJEX-UHFFFAOYSA-N
XLogP1.54
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-4-oxo-N-pyridin-3-ylpiperidine-2-carboxamide
CID 75982447
N-pyridin-3-yl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79353875
(2S)-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 10607737
N-pyridin-3-ylthiomorpholine-3-carboxamide
CID 82905944
3-oxo-2-phenylmethoxy-N-pyridin-3-ylcyclohexa-1,5-diene-1-carboxamide
CID 67108039
4-hydroxy-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrrolidine-2-carboxamide
CID 119838684
(3S)-3-(3-phenylpropoxy)-N-pyridin-3-ylpyrrolidine-1-carboxamide
CID 96560292
(3S)-3-phenylmethoxyazetidin-2-one
CID 10773649
2-methyl-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 79383379
N-(4-phenylmethoxyphenyl)-N'-pyridin-3-ylpentanediamide
CID 51362775
4-N-phenyl-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148792
trans-(1R,2R)-2-methyl-N-pyridin-3-ylcyclopropane-1-carboxamide
CID 131159605

Frequently Asked Questions

What is the IUPAC name of 4-oxo-5-phenylmethoxy-N-pyridin-3-ylpiperidine-2-carboxamide?
The IUPAC name of 4-oxo-5-phenylmethoxy-N-pyridin-3-ylpiperidine-2-carboxamide (CID 75949315) is 4-oxo-5-phenylmethoxy-N-pyridin-3-ylpiperidine-2-carboxamide.
What is the SMILES notation for 4-oxo-5-phenylmethoxy-N-pyridin-3-ylpiperidine-2-carboxamide?
The canonical SMILES for 4-oxo-5-phenylmethoxy-N-pyridin-3-ylpiperidine-2-carboxamide is O=C(Nc1cccnc1)C1CC(=O)C(OCc2ccccc2)CN1.
What is the InChIKey of 4-oxo-5-phenylmethoxy-N-pyridin-3-ylpiperidine-2-carboxamide?
The InChIKey is IQIWMUZZHMGJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c22-16-9-15(18(23)21-14-7-4-8-19-10-14)20-11-17(16)24-12-13-5-2-1-3-6-13/h1-8,10,15,17,20H,9,11-12H2,(H,21,23).
What are the key properties of 4-oxo-5-phenylmethoxy-N-pyridin-3-ylpiperidine-2-carboxamide?
4-oxo-5-phenylmethoxy-N-pyridin-3-ylpiperidine-2-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-5-phenylmethoxy-N-pyridin-3-ylpiperidine-2-carboxamide is sourced from PubChem (CID 75949315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).