4-[(2-fluoro-3-methoxyphenyl)methyl]piperidine-2-carboxamide

C14H19FN2O2 — CID 106781147

IUPAC4-[(2-fluoro-3-methoxyphenyl)methyl]piperidine-2-carboxamide
SMILESCOc1cccc(CC2CCNC(C(N)=O)C2)c1F
InChIInChI=1S/C14H19FN2O2/c1-19-12-4-2-3-10(13(12)15)7-9-5-6-17-11(8-9)14(16)18/h2-4,9,11,17H,5-8H2,1H3,(H2,16,18)
InChIKeyBVUIFMVXRXGNBT-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.23
Rot. Bonds4

About 4-[(2-fluoro-3-methoxyphenyl)methyl]piperidine-2-carboxamide

4-[(2-fluoro-3-methoxyphenyl)methyl]piperidine-2-carboxamide (PubChem CID 106781147) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 4-[(2-fluoro-3-methoxyphenyl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name4-[(2-fluoro-3-methoxyphenyl)methyl]piperidine-2-carboxamide
PubChem CID106781147
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name4-[(2-fluoro-3-methoxyphenyl)methyl]piperidine-2-carboxamide
SMILESCOc1cccc(CC2CCNC(C(N)=O)C2)c1F
InChIInChI=1S/C14H19FN2O2/c1-19-12-4-2-3-10(13(12)15)7-9-5-6-17-11(8-9)14(16)18/h2-4,9,11,17H,5-8H2,1H3,(H2,16,18)
InChIKeyBVUIFMVXRXGNBT-UHFFFAOYSA-N
XLogP1.23
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-fluoro-3-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 106781146
2-(2-fluoro-3-methoxyphenyl)-1-pyrrolidin-2-ylethanone
CID 116547496
1-[(2-fluoro-3-methoxyphenyl)methyl]piperazine-2-carboxamide
CID 104792861
N-ethyl-4-[(2-fluorophenyl)methyl]piperidine-2-carboxamide
CID 106777776
1-cyclopentyl-3-(2-fluoro-3-methoxyphenyl)propan-2-one
CID 115800128
4-[(4-propan-2-ylphenyl)methyl]piperidine-2-carboxamide
CID 106778616
N-ethyl-4-[(5-fluoro-2-methylphenyl)methyl]piperidine-2-carboxamide
CID 106781844
(2S)-4-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 70543840
1-[(2-bromocyclohexyl)methyl]-2-fluoro-3-methoxybenzene
CID 104794444
2-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpiperidine
CID 82810757
2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylcyclohexan-1-ol
CID 113453825
4-ethyl-N-[2-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide
CID 106260831

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoro-3-methoxyphenyl)methyl]piperidine-2-carboxamide?
The IUPAC name of 4-[(2-fluoro-3-methoxyphenyl)methyl]piperidine-2-carboxamide (CID 106781147) is 4-[(2-fluoro-3-methoxyphenyl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for 4-[(2-fluoro-3-methoxyphenyl)methyl]piperidine-2-carboxamide?
The canonical SMILES for 4-[(2-fluoro-3-methoxyphenyl)methyl]piperidine-2-carboxamide is COc1cccc(CC2CCNC(C(N)=O)C2)c1F.
What is the InChIKey of 4-[(2-fluoro-3-methoxyphenyl)methyl]piperidine-2-carboxamide?
The InChIKey is BVUIFMVXRXGNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-19-12-4-2-3-10(13(12)15)7-9-5-6-17-11(8-9)14(16)18/h2-4,9,11,17H,5-8H2,1H3,(H2,16,18).
What are the key properties of 4-[(2-fluoro-3-methoxyphenyl)methyl]piperidine-2-carboxamide?
4-[(2-fluoro-3-methoxyphenyl)methyl]piperidine-2-carboxamide has a molecular weight of 266.32 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoro-3-methoxyphenyl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 106781147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).