N-(5-fluoro-2,4-dimethoxyphenyl)piperidine-3-carboxamide

C14H19FN2O3 — CID 119336082

IUPACN-(5-fluoro-2,4-dimethoxyphenyl)piperidine-3-carboxamide
SMILESCOc1cc(OC)c(NC(=O)C2CCCNC2)cc1F
InChIInChI=1S/C14H19FN2O3/c1-19-12-7-13(20-2)11(6-10(12)15)17-14(18)9-4-3-5-16-8-9/h6-7,9,16H,3-5,8H2,1-2H3,(H,17,18)
InChIKeyYWRDMICUERDEPE-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.78
Rot. Bonds4

About N-(5-fluoro-2,4-dimethoxyphenyl)piperidine-3-carboxamide

N-(5-fluoro-2,4-dimethoxyphenyl)piperidine-3-carboxamide (PubChem CID 119336082) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is N-(5-fluoro-2,4-dimethoxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2,4-dimethoxyphenyl)piperidine-3-carboxamide
PubChem CID119336082
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC NameN-(5-fluoro-2,4-dimethoxyphenyl)piperidine-3-carboxamide
SMILESCOc1cc(OC)c(NC(=O)C2CCCNC2)cc1F
InChIInChI=1S/C14H19FN2O3/c1-19-12-7-13(20-2)11(6-10(12)15)17-14(18)9-4-3-5-16-8-9/h6-7,9,16H,3-5,8H2,1-2H3,(H,17,18)
InChIKeyYWRDMICUERDEPE-UHFFFAOYSA-N
XLogP1.78
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)piperidine-3-carboxamide;hydrochloride
CID 119265918
N-(4,5-dimethoxy-2-methylphenyl)piperidine-3-carboxamide
CID 43708041
(3S)-N-(5-bromo-2-methoxyphenyl)piperidine-3-carboxamide
CID 81140921
(3S)-N-(5-acetamido-2-methoxyphenyl)piperidine-3-carboxamide
CID 81119809
N-(2-fluoro-4,5-dimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119778132
methyl 4,5-dimethoxy-2-(piperidine-3-carbonylamino)benzoate;hydrochloride
CID 119265013
N-(2,5-difluoro-4-methoxyphenyl)azetidine-3-carboxamide
CID 115158683
(3R)-N-[2-(difluoromethoxy)-5-methoxyphenyl]piperidine-3-carboxamide
CID 81119085
(3S)-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]piperidine-3-carboxamide
CID 81119695
N-(3-fluoro-4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 55151531
(3S)-N-(2,3,5-trifluorophenyl)piperidine-3-carboxamide
CID 81139845
(3S)-N-(5-chloro-2-fluorophenyl)piperidine-3-carboxamide
CID 81124041

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2,4-dimethoxyphenyl)piperidine-3-carboxamide?
The IUPAC name of N-(5-fluoro-2,4-dimethoxyphenyl)piperidine-3-carboxamide (CID 119336082) is N-(5-fluoro-2,4-dimethoxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(5-fluoro-2,4-dimethoxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for N-(5-fluoro-2,4-dimethoxyphenyl)piperidine-3-carboxamide is COc1cc(OC)c(NC(=O)C2CCCNC2)cc1F.
What is the InChIKey of N-(5-fluoro-2,4-dimethoxyphenyl)piperidine-3-carboxamide?
The InChIKey is YWRDMICUERDEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-19-12-7-13(20-2)11(6-10(12)15)17-14(18)9-4-3-5-16-8-9/h6-7,9,16H,3-5,8H2,1-2H3,(H,17,18).
What are the key properties of N-(5-fluoro-2,4-dimethoxyphenyl)piperidine-3-carboxamide?
N-(5-fluoro-2,4-dimethoxyphenyl)piperidine-3-carboxamide has a molecular weight of 282.31 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2,4-dimethoxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 119336082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).