N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-methylpiperidine-3-carboxamide

C21H25FN2O2 — CID 50874469

IUPACN-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-methylpiperidine-3-carboxamide
SMILESCN1CCCC(C(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)C1
InChIInChI=1S/C21H25FN2O2/c1-24-12-2-3-18(14-24)21(25)23-13-16-6-10-20(11-7-16)26-15-17-4-8-19(22)9-5-17/h4-11,18H,2-3,12-15H2,1H3,(H,23,25)
InChIKeySSEPQZRBORUHOT-UHFFFAOYSA-N
MW356.44 g/mol
LogP3.36
Rot. Bonds6

About N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-methylpiperidine-3-carboxamide

N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-methylpiperidine-3-carboxamide (PubChem CID 50874469) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-methylpiperidine-3-carboxamide
PubChem CID50874469
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC NameN-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-methylpiperidine-3-carboxamide
SMILESCN1CCCC(C(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)C1
InChIInChI=1S/C21H25FN2O2/c1-24-12-2-3-18(14-24)21(25)23-13-16-6-10-20(11-7-16)26-15-17-4-8-19(22)9-5-17/h4-11,18H,2-3,12-15H2,1H3,(H,23,25)
InChIKeySSEPQZRBORUHOT-UHFFFAOYSA-N
XLogP3.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 100666011
N-[(4-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 46774647
N-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 45245237
N-[(4-ethoxyphenyl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 133168231
(3R)-1-acetyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 9270503
(3S)-1-methyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 96568235
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930960
N-[(4-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985646
(3R)-N-[(3,4-diethoxyphenyl)methyl]-1-methylpiperidine-3-carboxamide
CID 95396834
(3S)-N-[(4-fluorophenyl)methyl]-1-[(3R)-3-[(4-fluorophenyl)methylcarbamoyl]piperidin-1-yl]sulfonylpiperidine-3-carboxamide
CID 98222096
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]piperidine-3-carboxamide
CID 43932177
1-[2-(4-fluorophenyl)acetyl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 55749531

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-methylpiperidine-3-carboxamide?
The IUPAC name of N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-methylpiperidine-3-carboxamide (CID 50874469) is N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-methylpiperidine-3-carboxamide?
The canonical SMILES for N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-methylpiperidine-3-carboxamide is CN1CCCC(C(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)C1.
What is the InChIKey of N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-methylpiperidine-3-carboxamide?
The InChIKey is SSEPQZRBORUHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-24-12-2-3-18(14-24)21(25)23-13-16-6-10-20(11-7-16)26-15-17-4-8-19(22)9-5-17/h4-11,18H,2-3,12-15H2,1H3,(H,23,25).
What are the key properties of N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-methylpiperidine-3-carboxamide?
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-methylpiperidine-3-carboxamide has a molecular weight of 356.44 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-methylpiperidine-3-carboxamide is sourced from PubChem (CID 50874469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).