N-[(3-fluoro-4-methylphenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride

C15H22ClFN2O2 — CID 119697511

IUPACN-[(3-fluoro-4-methylphenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)NCc2ccc(C)c(F)c2)CCNCC1.Cl
InChIInChI=1S/C15H21FN2O2.ClH/c1-11-3-4-12(9-13(11)16)10-18-14(19)15(20-2)5-7-17-8-6-15;/h3-4,9,17H,5-8,10H2,1-2H3,(H,18,19);1H
InChIKeyOOIWLHHHORXFSW-UHFFFAOYSA-N
MW316.80 g/mol
LogP1.94
Rot. Bonds4

About N-[(3-fluoro-4-methylphenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride

N-[(3-fluoro-4-methylphenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride (PubChem CID 119697511) has the molecular formula C15H22ClFN2O2 and a molecular weight of 316.80 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylphenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
PubChem CID119697511
Molecular FormulaC15H22ClFN2O2
Molecular Weight316.80 g/mol
Exact Mass316.14
IUPAC NameN-[(3-fluoro-4-methylphenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)NCc2ccc(C)c(F)c2)CCNCC1.Cl
InChIInChI=1S/C15H21FN2O2.ClH/c1-11-3-4-12(9-13(11)16)10-18-14(19)15(20-2)5-7-17-8-6-15;/h3-4,9,17H,5-8,10H2,1-2H3,(H,18,19);1H
InChIKeyOOIWLHHHORXFSW-UHFFFAOYSA-N
XLogP1.94
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.80
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluoro-4-methylphenyl)methyl]-1-(4-methoxypiperidine-4-carbonyl)piperidine-4-carboxamide;hydrochloride
CID 119720853
N-[(4-chlorophenyl)methyl]-4-methoxypiperidine-4-carboxamide
CID 119669752
N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-methoxypiperidine-4-carboxamide
CID 119696231
4-methoxy-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 119678226
4-methoxy-N-[(6-methoxynaphthalen-2-yl)methyl]piperidine-4-carboxamide
CID 119699303
ethyl 4-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]benzoate;hydrochloride
CID 119746522
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119714589
4-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119712888
N-[[4-(ethoxymethyl)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119718289
4-methoxy-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 119716391
N-[2-(3-bromo-4-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119742392
4-methoxy-N-[(4-methyl-2-methylsulfanylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119811691

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride (CID 119697511) is N-[(3-fluoro-4-methylphenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride is COC1(C(=O)NCc2ccc(C)c(F)c2)CCNCC1.Cl.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
The InChIKey is OOIWLHHHORXFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2.ClH/c1-11-3-4-12(9-13(11)16)10-18-14(19)15(20-2)5-7-17-8-6-15;/h3-4,9,17H,5-8,10H2,1-2H3,(H,18,19);1H.
What are the key properties of N-[(3-fluoro-4-methylphenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
N-[(3-fluoro-4-methylphenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride has a molecular weight of 316.80 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methylphenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119697511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).