1-[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide

C18H26FN3O2 — CID 24580188

IUPAC1-[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(C)C(=O)N(C)Cc2cccc(F)c2)CC1
InChIInChI=1S/C18H26FN3O2/c1-13(22-9-7-15(8-10-22)17(23)20-2)18(24)21(3)12-14-5-4-6-16(19)11-14/h4-6,11,13,15H,7-10,12H2,1-3H3,(H,20,23)
InChIKeyVLJKAGUPRAPTFN-UHFFFAOYSA-N
MW335.42 g/mol
LogP1.63
Rot. Bonds5

About 1-[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide

1-[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide (PubChem CID 24580188) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is 1-[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide
PubChem CID24580188
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC Name1-[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(C)C(=O)N(C)Cc2cccc(F)c2)CC1
InChIInChI=1S/C18H26FN3O2/c1-13(22-9-7-15(8-10-22)17(23)20-2)18(24)21(3)12-14-5-4-6-16(19)11-14/h4-6,11,13,15H,7-10,12H2,1-3H3,(H,20,23)
InChIKeyVLJKAGUPRAPTFN-UHFFFAOYSA-N
XLogP1.63
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-1-[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 86870583
N-[(3-fluorophenyl)methyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylpropanamide
CID 111332559
N-[1-[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]piperidin-4-yl]-2-methylbenzamide
CID 55850902
N-[(3-fluorophenyl)methyl]-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-methylpropanamide
CID 42931732
N-[(3-fluorophenyl)methyl]-N-methyl-2-[4-(triazol-1-ylmethyl)piperidin-1-yl]propanamide
CID 146122110
(2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 8546713
N-[(3-fluorophenyl)methyl]-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 46662860
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 46508539
2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 87015655
2,2-difluoro-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 103600519
(3S,4S)-1-[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120953902
(2S)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 8721373

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide (CID 24580188) is 1-[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(C(C)C(=O)N(C)Cc2cccc(F)c2)CC1.
What is the InChIKey of 1-[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide?
The InChIKey is VLJKAGUPRAPTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O2/c1-13(22-9-7-15(8-10-22)17(23)20-2)18(24)21(3)12-14-5-4-6-16(19)11-14/h4-6,11,13,15H,7-10,12H2,1-3H3,(H,20,23).
What are the key properties of 1-[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide?
1-[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide has a molecular weight of 335.42 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 24580188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).