N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]piperidine-4-carboxamide;hydrochloride

C20H24ClFN2O3 — CID 119304876

IUPACN-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCOc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)C1CCNCC1.Cl
InChIInChI=1S/C20H23FN2O3.ClH/c1-13-3-5-18(19(11-13)25-2)26-17-6-4-15(21)12-16(17)23-20(24)14-7-9-22-10-8-14;/h3-6,11-12,14,22H,7-10H2,1-2H3,(H,23,24);1H
InChIKeyHODGBFFUNKGAKE-UHFFFAOYSA-N
MW394.87 g/mol
LogP4.29
Rot. Bonds5

About N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]piperidine-4-carboxamide;hydrochloride

N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119304876) has the molecular formula C20H24ClFN2O3 and a molecular weight of 394.87 g/mol. Its IUPAC name is N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119304876
Molecular FormulaC20H24ClFN2O3
Molecular Weight394.87 g/mol
Exact Mass394.15
IUPAC NameN-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCOc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)C1CCNCC1.Cl
InChIInChI=1S/C20H23FN2O3.ClH/c1-13-3-5-18(19(11-13)25-2)26-17-6-4-15(21)12-16(17)23-20(24)14-7-9-22-10-8-14;/h3-6,11-12,14,22H,7-10H2,1-2H3,(H,23,24);1H
InChIKeyHODGBFFUNKGAKE-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

3-amino-N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119751512
N-(2-methoxy-4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119298753
(2S,5R)-5-(aminomethyl)-N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120789983
N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119751510
N-[3-fluoro-4-(2-methoxy-4-methylphenoxy)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119304870
1-N-(3-fluorophenyl)-4-N-(2-methoxy-5-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109151076
N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119751526
4-amino-N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]pentanamide;hydrochloride
CID 120561352
N-(5-bromo-2-methoxyphenyl)piperidine-4-carboxamide
CID 54967697
2-amino-N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]pentanamide
CID 119304879
N-(2-amino-5-fluorophenyl)piperidine-4-carboxamide
CID 110482325
1-N-(2-methoxy-5-methylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144583

Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]piperidine-4-carboxamide;hydrochloride (CID 119304876) is N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]piperidine-4-carboxamide;hydrochloride is COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)C1CCNCC1.Cl.
What is the InChIKey of N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is HODGBFFUNKGAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3.ClH/c1-13-3-5-18(19(11-13)25-2)26-17-6-4-15(21)12-16(17)23-20(24)14-7-9-22-10-8-14;/h3-6,11-12,14,22H,7-10H2,1-2H3,(H,23,24);1H.
What are the key properties of N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]piperidine-4-carboxamide;hydrochloride?
N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]piperidine-4-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-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119304876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).