N-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]-5-methoxy-4-oxopyran-2-carboxamide

C18H19FN2O4 — CID 124741629

IUPACN-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]-5-methoxy-4-oxopyran-2-carboxamide
SMILESCOc1coc(C(=O)N[C@@H]2CCCN(c3ccccc3F)C2)cc1=O
InChIInChI=1S/C18H19FN2O4/c1-24-17-11-25-16(9-15(17)22)18(23)20-12-5-4-8-21(10-12)14-7-3-2-6-13(14)19/h2-3,6-7,9,11-12H,4-5,8,10H2,1H3,(H,20,23)/t12-/m1/s1
InChIKeyWSIJTIWUFYRSIW-GFCCVEGCSA-N
MW346.36 g/mol
LogP2.19
Rot. Bonds4

About N-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]-5-methoxy-4-oxopyran-2-carboxamide

N-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]-5-methoxy-4-oxopyran-2-carboxamide (PubChem CID 124741629) has the molecular formula C18H19FN2O4 and a molecular weight of 346.36 g/mol. Its IUPAC name is N-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]-5-methoxy-4-oxopyran-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]-5-methoxy-4-oxopyran-2-carboxamide
PubChem CID124741629
Molecular FormulaC18H19FN2O4
Molecular Weight346.36 g/mol
Exact Mass346.13
IUPAC NameN-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]-5-methoxy-4-oxopyran-2-carboxamide
SMILESCOc1coc(C(=O)N[C@@H]2CCCN(c3ccccc3F)C2)cc1=O
InChIInChI=1S/C18H19FN2O4/c1-24-17-11-25-16(9-15(17)22)18(23)20-12-5-4-8-21(10-12)14-7-3-2-6-13(14)19/h2-3,6-7,9,11-12H,4-5,8,10H2,1H3,(H,20,23)/t12-/m1/s1
InChIKeyWSIJTIWUFYRSIW-GFCCVEGCSA-N
XLogP2.19
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]-5-methoxy-4-oxopyran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2-methoxyphenyl)piperidin-3-yl]-3,4-dimethylbenzamide
CID 86965644
2-(2-fluorophenyl)-N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methylpropanamide
CID 86965751
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-methoxythiophene-2-carboxamide
CID 86965351
N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methyl-5-methylsulfanylbenzamide
CID 86966315
2-hydroxy-N-[1-(2-methoxyphenyl)piperidin-3-yl]cyclopentane-1-carboxamide
CID 110015870
1-(1,5-dimethylpyrazol-3-yl)-3-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]urea
CID 97329029
2-[acetyl(methyl)amino]-N-[1-(2-fluorophenyl)piperidin-3-yl]acetamide
CID 136518581
N-[2-[[1-(2-methoxyphenyl)piperidin-3-yl]carbamoyl]phenyl]-N-methylfuran-2-carboxamide
CID 86966309
methyl 5-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]carbamoyl]furan-3-carboxylate
CID 124616870
2-(3-chlorophenyl)-N-[1-(2-methoxyphenyl)piperidin-3-yl]acetamide
CID 86965513
5-methoxy-2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]pyran-4-one
CID 27378207
(2R)-N-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 97249227

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]-5-methoxy-4-oxopyran-2-carboxamide?
The IUPAC name of N-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]-5-methoxy-4-oxopyran-2-carboxamide (CID 124741629) is N-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]-5-methoxy-4-oxopyran-2-carboxamide.
What is the SMILES notation for N-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]-5-methoxy-4-oxopyran-2-carboxamide?
The canonical SMILES for N-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]-5-methoxy-4-oxopyran-2-carboxamide is COc1coc(C(=O)N[C@@H]2CCCN(c3ccccc3F)C2)cc1=O.
What is the InChIKey of N-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]-5-methoxy-4-oxopyran-2-carboxamide?
The InChIKey is WSIJTIWUFYRSIW-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19FN2O4/c1-24-17-11-25-16(9-15(17)22)18(23)20-12-5-4-8-21(10-12)14-7-3-2-6-13(14)19/h2-3,6-7,9,11-12H,4-5,8,10H2,1H3,(H,20,23)/t12-/m1/s1.
What are the key properties of N-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]-5-methoxy-4-oxopyran-2-carboxamide?
N-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]-5-methoxy-4-oxopyran-2-carboxamide has a molecular weight of 346.36 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]-5-methoxy-4-oxopyran-2-carboxamide is sourced from PubChem (CID 124741629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).