N-[3-fluoro-4-(2-methoxy-4-methylphenoxy)phenyl]piperidine-3-carboxamide;hydrochloride

C20H24ClFN2O3 — CID 119304870

IUPACN-[3-fluoro-4-(2-methoxy-4-methylphenoxy)phenyl]piperidine-3-carboxamide;hydrochloride
SMILESCOc1cc(C)ccc1Oc1ccc(NC(=O)C2CCCNC2)cc1F.Cl
InChIInChI=1S/C20H23FN2O3.ClH/c1-13-5-7-18(19(10-13)25-2)26-17-8-6-15(11-16(17)21)23-20(24)14-4-3-9-22-12-14;/h5-8,10-11,14,22H,3-4,9,12H2,1-2H3,(H,23,24);1H
InChIKeyWRWKJHLHIDHOKB-UHFFFAOYSA-N
MW394.87 g/mol
LogP4.29
Rot. Bonds5

About N-[3-fluoro-4-(2-methoxy-4-methylphenoxy)phenyl]piperidine-3-carboxamide;hydrochloride

N-[3-fluoro-4-(2-methoxy-4-methylphenoxy)phenyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119304870) has the molecular formula C20H24ClFN2O3 and a molecular weight of 394.87 g/mol. Its IUPAC name is N-[3-fluoro-4-(2-methoxy-4-methylphenoxy)phenyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-fluoro-4-(2-methoxy-4-methylphenoxy)phenyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119304870
Molecular FormulaC20H24ClFN2O3
Molecular Weight394.87 g/mol
Exact Mass394.15
IUPAC NameN-[3-fluoro-4-(2-methoxy-4-methylphenoxy)phenyl]piperidine-3-carboxamide;hydrochloride
SMILESCOc1cc(C)ccc1Oc1ccc(NC(=O)C2CCCNC2)cc1F.Cl
InChIInChI=1S/C20H23FN2O3.ClH/c1-13-5-7-18(19(10-13)25-2)26-17-8-6-15(11-16(17)21)23-20(24)14-4-3-9-22-12-14;/h5-8,10-11,14,22H,3-4,9,12H2,1-2H3,(H,23,24);1H
InChIKeyWRWKJHLHIDHOKB-UHFFFAOYSA-N
XLogP4.29
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.87
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluoro-4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 55151531
(3R)-N-(4-chloro-3-methoxyphenyl)piperidine-3-carboxamide
CID 107621709
N-(5-fluoro-2,4-dimethoxyphenyl)piperidine-3-carboxamide
CID 119336082
N-[3-fluoro-4-(2-methoxy-4-methylphenoxy)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119751498
N-(2-fluoro-5-methylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119264146
N-(2-fluoro-4-methylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119263786
(3R)-N-(3-ethoxy-4-methoxyphenyl)piperidine-3-carboxamide
CID 81124200
(3S)-N-(5-acetamido-2-methoxyphenyl)piperidine-3-carboxamide
CID 81119809
N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119304876
2-fluoro-4-[[(3S)-piperidine-3-carbonyl]amino]benzoic acid
CID 107795041
N-(3-bromo-4-fluorophenyl)piperidine-3-carboxamide;hydrochloride
CID 119281108
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]piperidine-3-carboxamide;hydrochloride
CID 119298124

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(2-methoxy-4-methylphenoxy)phenyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-fluoro-4-(2-methoxy-4-methylphenoxy)phenyl]piperidine-3-carboxamide;hydrochloride (CID 119304870) is N-[3-fluoro-4-(2-methoxy-4-methylphenoxy)phenyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-fluoro-4-(2-methoxy-4-methylphenoxy)phenyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-fluoro-4-(2-methoxy-4-methylphenoxy)phenyl]piperidine-3-carboxamide;hydrochloride is COc1cc(C)ccc1Oc1ccc(NC(=O)C2CCCNC2)cc1F.Cl.
What is the InChIKey of N-[3-fluoro-4-(2-methoxy-4-methylphenoxy)phenyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is WRWKJHLHIDHOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3.ClH/c1-13-5-7-18(19(10-13)25-2)26-17-8-6-15(11-16(17)21)23-20(24)14-4-3-9-22-12-14;/h5-8,10-11,14,22H,3-4,9,12H2,1-2H3,(H,23,24);1H.
What are the key properties of N-[3-fluoro-4-(2-methoxy-4-methylphenoxy)phenyl]piperidine-3-carboxamide;hydrochloride?
N-[3-fluoro-4-(2-methoxy-4-methylphenoxy)phenyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 394.87 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(2-methoxy-4-methylphenoxy)phenyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119304870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).