N-[5-[(3-fluorophenyl)methyl]-1-methylpiperidin-3-yl]-2-methylpropanamide

C17H25FN2O — CID 112542536

IUPACN-[5-[(3-fluorophenyl)methyl]-1-methylpiperidin-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CC(Cc2cccc(F)c2)CN(C)C1
InChIInChI=1S/C17H25FN2O/c1-12(2)17(21)19-16-9-14(10-20(3)11-16)7-13-5-4-6-15(18)8-13/h4-6,8,12,14,16H,7,9-11H2,1-3H3,(H,19,21)
InChIKeyJSRAIXZYOALYDV-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.46
Rot. Bonds4

About N-[5-[(3-fluorophenyl)methyl]-1-methylpiperidin-3-yl]-2-methylpropanamide

N-[5-[(3-fluorophenyl)methyl]-1-methylpiperidin-3-yl]-2-methylpropanamide (PubChem CID 112542536) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[5-[(3-fluorophenyl)methyl]-1-methylpiperidin-3-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-[(3-fluorophenyl)methyl]-1-methylpiperidin-3-yl]-2-methylpropanamide
PubChem CID112542536
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC NameN-[5-[(3-fluorophenyl)methyl]-1-methylpiperidin-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CC(Cc2cccc(F)c2)CN(C)C1
InChIInChI=1S/C17H25FN2O/c1-12(2)17(21)19-16-9-14(10-20(3)11-16)7-13-5-4-6-15(18)8-13/h4-6,8,12,14,16H,7,9-11H2,1-3H3,(H,19,21)
InChIKeyJSRAIXZYOALYDV-UHFFFAOYSA-N
XLogP2.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(3-fluorophenyl)methyl]-1-methyl-N-(3-methylbutyl)piperidin-3-amine
CID 83995522
N-[1-ethyl-5-(3-fluorophenyl)piperidin-3-yl]-2-methylpropanamide
CID 112542582
tert-butyl N-[3-[(3-fluorophenyl)methyl]cyclobutyl]carbamate
CID 167553603
ethane;4-[(3-fluorophenyl)methyl]-1-methylpiperidine
CID 163281895
3-(3-fluorophenyl)-N-(1-methylpyrrolidin-3-yl)propanamide
CID 110737633
4-[(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 116926377
2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propanamide
CID 47053789
1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 119736878
(2S)-N-cyclohexyl-2-[(3-fluorophenyl)methylsulfonyl]propanamide
CID 51946941
N-[1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 136577855
1-[3-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propyl]-4-methylpiperazine
CID 75518320
N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanamide
CID 110478479

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-fluorophenyl)methyl]-1-methylpiperidin-3-yl]-2-methylpropanamide?
The IUPAC name of N-[5-[(3-fluorophenyl)methyl]-1-methylpiperidin-3-yl]-2-methylpropanamide (CID 112542536) is N-[5-[(3-fluorophenyl)methyl]-1-methylpiperidin-3-yl]-2-methylpropanamide.
What is the SMILES notation for N-[5-[(3-fluorophenyl)methyl]-1-methylpiperidin-3-yl]-2-methylpropanamide?
The canonical SMILES for N-[5-[(3-fluorophenyl)methyl]-1-methylpiperidin-3-yl]-2-methylpropanamide is CC(C)C(=O)NC1CC(Cc2cccc(F)c2)CN(C)C1.
What is the InChIKey of N-[5-[(3-fluorophenyl)methyl]-1-methylpiperidin-3-yl]-2-methylpropanamide?
The InChIKey is JSRAIXZYOALYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-12(2)17(21)19-16-9-14(10-20(3)11-16)7-13-5-4-6-15(18)8-13/h4-6,8,12,14,16H,7,9-11H2,1-3H3,(H,19,21).
What are the key properties of N-[5-[(3-fluorophenyl)methyl]-1-methylpiperidin-3-yl]-2-methylpropanamide?
N-[5-[(3-fluorophenyl)methyl]-1-methylpiperidin-3-yl]-2-methylpropanamide has a molecular weight of 292.40 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-fluorophenyl)methyl]-1-methylpiperidin-3-yl]-2-methylpropanamide is sourced from PubChem (CID 112542536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).