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

C14H19FN2O2 — CID 82133842

IUPACN-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCNCC2)cc1F
InChIInChI=1S/C14H19FN2O2/c1-19-13-3-2-10(8-12(13)15)9-17-14(18)11-4-6-16-7-5-11/h2-3,8,11,16H,4-7,9H2,1H3,(H,17,18)
InChIKeyUVCZPQMOLRFUBH-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.45
Rot. Bonds4

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

N-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 82133842) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID82133842
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCNCC2)cc1F
InChIInChI=1S/C14H19FN2O2/c1-19-13-3-2-10(8-12(13)15)9-17-14(18)11-4-6-16-7-5-11/h2-3,8,11,16H,4-7,9H2,1H3,(H,17,18)
InChIKeyUVCZPQMOLRFUBH-UHFFFAOYSA-N
XLogP1.45
TPSA50.36 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 ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-difluorophenyl)methyl]piperidine-4-carboxamide
CID 54967962
N-[(3,4-dimethoxyphenyl)methyl]azepane-4-carboxamide;hydrochloride
CID 154911557
2-[(3-fluoro-4-methoxyphenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975161
N-[(3-amino-4-methoxyphenyl)methyl]cyclopropanecarboxamide
CID 60972239
(2S,4S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 125150529
N-[(3-ethyl-4-methoxyphenyl)methyl]cyclopentanecarboxamide
CID 110781731
N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 74889868
N-[(3-fluoro-4-piperazin-1-ylphenyl)methyl]cyclopropanecarboxamide
CID 68873168
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 55669481
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 55669596
4-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779968
(2S)-2-N-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 74250640

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-4-carboxamide (CID 82133842) is N-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-4-carboxamide is COc1ccc(CNC(=O)C2CCNCC2)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is UVCZPQMOLRFUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-19-13-3-2-10(8-12(13)15)9-17-14(18)11-4-6-16-7-5-11/h2-3,8,11,16H,4-7,9H2,1H3,(H,17,18).
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-4-carboxamide?
N-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 266.32 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 82133842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).