N-[(3-fluoro-4-methylphenyl)methyl]-1-(4-methoxypiperidine-4-carbonyl)piperidine-4-carboxamide;hydrochloride

C21H31ClFN3O3 — CID 119720853

IUPACN-[(3-fluoro-4-methylphenyl)methyl]-1-(4-methoxypiperidine-4-carbonyl)piperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)N2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)CCNCC1.Cl
InChIInChI=1S/C21H30FN3O3.ClH/c1-15-3-4-16(13-18(15)22)14-24-19(26)17-5-11-25(12-6-17)20(27)21(28-2)7-9-23-10-8-21;/h3-4,13,17,23H,5-12,14H2,1-2H3,(H,24,26);1H
InChIKeyBKJGGLXDTSNSRB-UHFFFAOYSA-N
MW427.95 g/mol
LogP2.18
Rot. Bonds5

About N-[(3-fluoro-4-methylphenyl)methyl]-1-(4-methoxypiperidine-4-carbonyl)piperidine-4-carboxamide;hydrochloride

N-[(3-fluoro-4-methylphenyl)methyl]-1-(4-methoxypiperidine-4-carbonyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119720853) has the molecular formula C21H31ClFN3O3 and a molecular weight of 427.95 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylphenyl)methyl]-1-(4-methoxypiperidine-4-carbonyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)methyl]-1-(4-methoxypiperidine-4-carbonyl)piperidine-4-carboxamide;hydrochloride
PubChem CID119720853
Molecular FormulaC21H31ClFN3O3
Molecular Weight427.95 g/mol
Exact Mass427.20
IUPAC NameN-[(3-fluoro-4-methylphenyl)methyl]-1-(4-methoxypiperidine-4-carbonyl)piperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)N2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)CCNCC1.Cl
InChIInChI=1S/C21H30FN3O3.ClH/c1-15-3-4-16(13-18(15)22)14-24-19(26)17-5-11-25(12-6-17)20(27)21(28-2)7-9-23-10-8-21;/h3-4,13,17,23H,5-12,14H2,1-2H3,(H,24,26);1H
InChIKeyBKJGGLXDTSNSRB-UHFFFAOYSA-N
XLogP2.18
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.95
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3-fluoro-4-methylphenyl)methyl]-1-(4-methoxypiperidine-4-carbonyl)piperidine-4-carboxamide;hydrochloride with MolForge

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Related Compounds

1-(4-methoxypiperidine-4-carbonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119759309
N-[(3-fluoro-4-methylphenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119697511
1-(3,5-dimethyladamantane-1-carbonyl)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide
CID 112827598
N-[(3-fluoro-4-methylphenyl)methyl]-1-[2-(methylamino)acetyl]piperidine-4-carboxamide
CID 119720842
N-[(3-fluoro-4-methylphenyl)methyl]-1-(piperidine-2-carbonyl)piperidine-4-carboxamide
CID 119287959
1-[(2R)-2-aminopropanoyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide
CID 119287979
cis-(1S,3R)-3-[4-[(3-fluoro-4-methylphenyl)methylcarbamoyl]piperidine-1-carbonyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065329
cis-methyl (1S,3R)-3-[4-[(3-fluoro-4-methylphenyl)methylcarbamoyl]piperidine-1-carbonyl]cyclohexane-1-carboxylate
CID 95781423
N-[(3-fluoro-4-methylphenyl)methyl]-1-[5-(methoxymethyl)furan-2-carbonyl]piperidine-4-carboxamide
CID 78878259
N-[(3-fluoro-4-methylphenyl)methyl]-1-[2-(4-sulfamoylphenyl)acetyl]piperidine-4-carboxamide
CID 56553008
1-(2-aminopentanoyl)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119287980
N-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 82133842

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-1-(4-methoxypiperidine-4-carbonyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-1-(4-methoxypiperidine-4-carbonyl)piperidine-4-carboxamide;hydrochloride (CID 119720853) is N-[(3-fluoro-4-methylphenyl)methyl]-1-(4-methoxypiperidine-4-carbonyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)methyl]-1-(4-methoxypiperidine-4-carbonyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)methyl]-1-(4-methoxypiperidine-4-carbonyl)piperidine-4-carboxamide;hydrochloride is COC1(C(=O)N2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)CCNCC1.Cl.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)methyl]-1-(4-methoxypiperidine-4-carbonyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is BKJGGLXDTSNSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FN3O3.ClH/c1-15-3-4-16(13-18(15)22)14-24-19(26)17-5-11-25(12-6-17)20(27)21(28-2)7-9-23-10-8-21;/h3-4,13,17,23H,5-12,14H2,1-2H3,(H,24,26);1H.
What are the key properties of N-[(3-fluoro-4-methylphenyl)methyl]-1-(4-methoxypiperidine-4-carbonyl)piperidine-4-carboxamide;hydrochloride?
N-[(3-fluoro-4-methylphenyl)methyl]-1-(4-methoxypiperidine-4-carbonyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 427.95 g/mol, XLogP of 2.18, 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-methylphenyl)methyl]-1-(4-methoxypiperidine-4-carbonyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119720853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).