1-(4-oxo-5-phenylmethoxy-1H-pyridine-2-carbonyl)piperidine-4-carboxamide

C19H21N3O4 — CID 42442176

IUPAC1-(4-oxo-5-phenylmethoxy-1H-pyridine-2-carbonyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2cc(=O)c(OCc3ccccc3)c[nH]2)CC1
InChIInChI=1S/C19H21N3O4/c20-18(24)14-6-8-22(9-7-14)19(25)15-10-16(23)17(11-21-15)26-12-13-4-2-1-3-5-13/h1-5,10-11,14H,6-9,12H2,(H2,20,24)(H,21,23)
InChIKeyKXDZONQGNWMSDG-UHFFFAOYSA-N
MW355.39 g/mol
LogP1.29
Rot. Bonds5

About 1-(4-oxo-5-phenylmethoxy-1H-pyridine-2-carbonyl)piperidine-4-carboxamide

1-(4-oxo-5-phenylmethoxy-1H-pyridine-2-carbonyl)piperidine-4-carboxamide (PubChem CID 42442176) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 1-(4-oxo-5-phenylmethoxy-1H-pyridine-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-oxo-5-phenylmethoxy-1H-pyridine-2-carbonyl)piperidine-4-carboxamide
PubChem CID42442176
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name1-(4-oxo-5-phenylmethoxy-1H-pyridine-2-carbonyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2cc(=O)c(OCc3ccccc3)c[nH]2)CC1
InChIInChI=1S/C19H21N3O4/c20-18(24)14-6-8-22(9-7-14)19(25)15-10-16(23)17(11-21-15)26-12-13-4-2-1-3-5-13/h1-5,10-11,14H,6-9,12H2,(H2,20,24)(H,21,23)
InChIKeyKXDZONQGNWMSDG-UHFFFAOYSA-N
XLogP1.29
TPSA105.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-oxo-5-phenylmethoxy-1H-pyridine-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-oxo-5-phenylmethoxy-1H-pyridine-2-carbonyl)piperidine-4-carboxamide (CID 42442176) is 1-(4-oxo-5-phenylmethoxy-1H-pyridine-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-oxo-5-phenylmethoxy-1H-pyridine-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-oxo-5-phenylmethoxy-1H-pyridine-2-carbonyl)piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2cc(=O)c(OCc3ccccc3)c[nH]2)CC1.
What is the InChIKey of 1-(4-oxo-5-phenylmethoxy-1H-pyridine-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is KXDZONQGNWMSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c20-18(24)14-6-8-22(9-7-14)19(25)15-10-16(23)17(11-21-15)26-12-13-4-2-1-3-5-13/h1-5,10-11,14H,6-9,12H2,(H2,20,24)(H,21,23).
What are the key properties of 1-(4-oxo-5-phenylmethoxy-1H-pyridine-2-carbonyl)piperidine-4-carboxamide?
1-(4-oxo-5-phenylmethoxy-1H-pyridine-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 355.39 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-oxo-5-phenylmethoxy-1H-pyridine-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 42442176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).