N-(3-fluoro-4-methoxyphenyl)-N-methylpiperidine-4-carboxamide

C14H19FN2O2 — CID 115159991

IUPACN-(3-fluoro-4-methoxyphenyl)-N-methylpiperidine-4-carboxamide
SMILESCOc1ccc(N(C)C(=O)C2CCNCC2)cc1F
InChIInChI=1S/C14H19FN2O2/c1-17(14(18)10-5-7-16-8-6-10)11-3-4-13(19-2)12(15)9-11/h3-4,9-10,16H,5-8H2,1-2H3
InChIKeyDGYWKRRQGSFVKG-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.80
Rot. Bonds3

About N-(3-fluoro-4-methoxyphenyl)-N-methylpiperidine-4-carboxamide

N-(3-fluoro-4-methoxyphenyl)-N-methylpiperidine-4-carboxamide (PubChem CID 115159991) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is N-(3-fluoro-4-methoxyphenyl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methoxyphenyl)-N-methylpiperidine-4-carboxamide
PubChem CID115159991
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC NameN-(3-fluoro-4-methoxyphenyl)-N-methylpiperidine-4-carboxamide
SMILESCOc1ccc(N(C)C(=O)C2CCNCC2)cc1F
InChIInChI=1S/C14H19FN2O2/c1-17(14(18)10-5-7-16-8-6-10)11-3-4-13(19-2)12(15)9-11/h3-4,9-10,16H,5-8H2,1-2H3
InChIKeyDGYWKRRQGSFVKG-UHFFFAOYSA-N
XLogP1.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methoxyphenyl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-(3-fluoro-4-methoxyphenyl)-N-methylpiperidine-4-carboxamide (CID 115159991) is N-(3-fluoro-4-methoxyphenyl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methoxyphenyl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methoxyphenyl)-N-methylpiperidine-4-carboxamide is COc1ccc(N(C)C(=O)C2CCNCC2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methoxyphenyl)-N-methylpiperidine-4-carboxamide?
The InChIKey is DGYWKRRQGSFVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-17(14(18)10-5-7-16-8-6-10)11-3-4-13(19-2)12(15)9-11/h3-4,9-10,16H,5-8H2,1-2H3.
What are the key properties of N-(3-fluoro-4-methoxyphenyl)-N-methylpiperidine-4-carboxamide?
N-(3-fluoro-4-methoxyphenyl)-N-methylpiperidine-4-carboxamide has a molecular weight of 266.32 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methoxyphenyl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 115159991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).