N-(4-chloro-3-fluorophenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride

C13H17Cl2FN2O2 — CID 119708344

IUPACN-(4-chloro-3-fluorophenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)Nc2ccc(Cl)c(F)c2)CCNCC1.Cl
InChIInChI=1S/C13H16ClFN2O2.ClH/c1-19-13(4-6-16-7-5-13)12(18)17-9-2-3-10(14)11(15)8-9;/h2-3,8,16H,4-7H2,1H3,(H,17,18);1H
InChIKeyISMHIXJDYHEHLT-UHFFFAOYSA-N
MW323.20 g/mol
LogP2.61
Rot. Bonds3

About N-(4-chloro-3-fluorophenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride

N-(4-chloro-3-fluorophenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride (PubChem CID 119708344) has the molecular formula C13H17Cl2FN2O2 and a molecular weight of 323.20 g/mol. Its IUPAC name is N-(4-chloro-3-fluorophenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-chloro-3-fluorophenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
PubChem CID119708344
Molecular FormulaC13H17Cl2FN2O2
Molecular Weight323.20 g/mol
Exact Mass322.07
IUPAC NameN-(4-chloro-3-fluorophenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)Nc2ccc(Cl)c(F)c2)CCNCC1.Cl
InChIInChI=1S/C13H16ClFN2O2.ClH/c1-19-13(4-6-16-7-5-13)12(18)17-9-2-3-10(14)11(15)8-9;/h2-3,8,16H,4-7H2,1H3,(H,17,18);1H
InChIKeyISMHIXJDYHEHLT-UHFFFAOYSA-N
XLogP2.61
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.20
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluoro-4-methoxyphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119705693
N-(4-fluoro-3-methylphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119707232
N-(4-chlorophenyl)-4-methoxypiperidine-4-carboxamide
CID 119671235
N-(3-bromo-4-fluorophenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119708380
N-(3,4-dimethylphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119670646
N-[3-fluoro-4-(2-methoxy-4-methylphenoxy)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119751498
4-methoxy-N-(4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119670964
N-(4-cyclopentyloxy-3-fluorophenyl)-4-methoxypiperidine-4-carboxamide
CID 119806534
4-methoxy-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119672814
4-methoxy-N-(4-methoxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119671002
N-(3-fluoro-4-imidazol-1-ylphenyl)-4-methoxypiperidine-4-carboxamide
CID 119860278
N-(4-chloro-3-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979908

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-fluorophenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(4-chloro-3-fluorophenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride (CID 119708344) is N-(4-chloro-3-fluorophenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-chloro-3-fluorophenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(4-chloro-3-fluorophenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride is COC1(C(=O)Nc2ccc(Cl)c(F)c2)CCNCC1.Cl.
What is the InChIKey of N-(4-chloro-3-fluorophenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride?
The InChIKey is ISMHIXJDYHEHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O2.ClH/c1-19-13(4-6-16-7-5-13)12(18)17-9-2-3-10(14)11(15)8-9;/h2-3,8,16H,4-7H2,1H3,(H,17,18);1H.
What are the key properties of N-(4-chloro-3-fluorophenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride?
N-(4-chloro-3-fluorophenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride has a molecular weight of 323.20 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-fluorophenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119708344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).