N-(3-fluorophenyl)-4-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide

C20H23FN2O2 — CID 46087047

IUPACN-(3-fluorophenyl)-4-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
SMILESCOc1ccc(CC2CCN(C(=O)Nc3cccc(F)c3)CC2)cc1
InChIInChI=1S/C20H23FN2O2/c1-25-19-7-5-15(6-8-19)13-16-9-11-23(12-10-16)20(24)22-18-4-2-3-17(21)14-18/h2-8,14,16H,9-13H2,1H3,(H,22,24)
InChIKeyJRRBEKNVEKLNFE-UHFFFAOYSA-N
MW342.41 g/mol
LogP4.32
Rot. Bonds4

About N-(3-fluorophenyl)-4-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide

N-(3-fluorophenyl)-4-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide (PubChem CID 46087047) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
PubChem CID46087047
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC NameN-(3-fluorophenyl)-4-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
SMILESCOc1ccc(CC2CCN(C(=O)Nc3cccc(F)c3)CC2)cc1
InChIInChI=1S/C20H23FN2O2/c1-25-19-7-5-15(6-8-19)13-16-9-11-23(12-10-16)20(24)22-18-4-2-3-17(21)14-18/h2-8,14,16H,9-13H2,1H3,(H,22,24)
InChIKeyJRRBEKNVEKLNFE-UHFFFAOYSA-N
XLogP4.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-4-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide (CID 46087047) is N-(3-fluorophenyl)-4-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-4-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-4-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide is COc1ccc(CC2CCN(C(=O)Nc3cccc(F)c3)CC2)cc1.
What is the InChIKey of N-(3-fluorophenyl)-4-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide?
The InChIKey is JRRBEKNVEKLNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-25-19-7-5-15(6-8-19)13-16-9-11-23(12-10-16)20(24)22-18-4-2-3-17(21)14-18/h2-8,14,16H,9-13H2,1H3,(H,22,24).
What are the key properties of N-(3-fluorophenyl)-4-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide?
N-(3-fluorophenyl)-4-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide has a molecular weight of 342.41 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 46087047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).