1-[5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carbonyl]piperidine-4-carboxamide

C19H19FN2O5 — CID 42227297

IUPAC1-[5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2cc(=O)c(OCc3ccc(F)cc3)co2)CC1
InChIInChI=1S/C19H19FN2O5/c20-14-3-1-12(2-4-14)10-26-17-11-27-16(9-15(17)23)19(25)22-7-5-13(6-8-22)18(21)24/h1-4,9,11,13H,5-8,10H2,(H2,21,24)
InChIKeyHLLSUQORQPXGJR-UHFFFAOYSA-N
MW374.37 g/mol
LogP1.70
Rot. Bonds5

About 1-[5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carbonyl]piperidine-4-carboxamide

1-[5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carbonyl]piperidine-4-carboxamide (PubChem CID 42227297) has the molecular formula C19H19FN2O5 and a molecular weight of 374.37 g/mol. Its IUPAC name is 1-[5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carbonyl]piperidine-4-carboxamide
PubChem CID42227297
Molecular FormulaC19H19FN2O5
Molecular Weight374.37 g/mol
Exact Mass374.13
IUPAC Name1-[5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2cc(=O)c(OCc3ccc(F)cc3)co2)CC1
InChIInChI=1S/C19H19FN2O5/c20-14-3-1-12(2-4-14)10-26-17-11-27-16(9-15(17)23)19(25)22-7-5-13(6-8-22)18(21)24/h1-4,9,11,13H,5-8,10H2,(H2,21,24)
InChIKeyHLLSUQORQPXGJR-UHFFFAOYSA-N
XLogP1.70
TPSA102.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carbonyl]piperidine-4-carboxamide (CID 42227297) is 1-[5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carbonyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2cc(=O)c(OCc3ccc(F)cc3)co2)CC1.
What is the InChIKey of 1-[5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carbonyl]piperidine-4-carboxamide?
The InChIKey is HLLSUQORQPXGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O5/c20-14-3-1-12(2-4-14)10-26-17-11-27-16(9-15(17)23)19(25)22-7-5-13(6-8-22)18(21)24/h1-4,9,11,13H,5-8,10H2,(H2,21,24).
What are the key properties of 1-[5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carbonyl]piperidine-4-carboxamide?
1-[5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carbonyl]piperidine-4-carboxamide has a molecular weight of 374.37 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 42227297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).