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

C18H27FN2O — CID 112542187

IUPACN-[1-[(3-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-2,2-dimethylpropanamide
SMILESCC1CC(NC(=O)C(C)(C)C)CN(Cc2cccc(F)c2)C1
InChIInChI=1S/C18H27FN2O/c1-13-8-16(20-17(22)18(2,3)4)12-21(10-13)11-14-6-5-7-15(19)9-14/h5-7,9,13,16H,8,10-12H2,1-4H3,(H,20,22)
InChIKeyCSVBUVRFLGWJPQ-UHFFFAOYSA-N
MW306.42 g/mol
LogP3.20
Rot. Bonds3

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

N-[1-[(3-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-2,2-dimethylpropanamide (PubChem CID 112542187) has the molecular formula C18H27FN2O and a molecular weight of 306.42 g/mol. Its IUPAC name is N-[1-[(3-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-[(3-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-2,2-dimethylpropanamide
PubChem CID112542187
Molecular FormulaC18H27FN2O
Molecular Weight306.42 g/mol
Exact Mass306.21
IUPAC NameN-[1-[(3-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-2,2-dimethylpropanamide
SMILESCC1CC(NC(=O)C(C)(C)C)CN(Cc2cccc(F)c2)C1
InChIInChI=1S/C18H27FN2O/c1-13-8-16(20-17(22)18(2,3)4)12-21(10-13)11-14-6-5-7-15(19)9-14/h5-7,9,13,16H,8,10-12H2,1-4H3,(H,20,22)
InChIKeyCSVBUVRFLGWJPQ-UHFFFAOYSA-N
XLogP3.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl N-[1-[(3-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate
CID 112543752
N-(2,2-dimethylpropyl)-1-[(3-fluorophenyl)methyl]-5-methylpiperidin-3-amine
CID 83994969
2,2-difluoro-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]propanamide
CID 158389197
tert-butyl N-[1-[(4-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate
CID 112544389
N-[1-(2,5-difluorophenyl)-5-methylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 112542336
N-[1-(4-fluorophenyl)-5-methylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 112542322
3-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]benzoic acid
CID 40801162
N-[1-(2-amino-2-oxoethyl)-5-methylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 112542492
N-[(3S)-1-benzylpyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 94785030
N-[1-benzyl-4-(2,2-dimethylpropanoylamino)pyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 53431992
N-[1-[(3-bromophenyl)methyl]piperidin-4-yl]-2,2-dimethylpropanamide
CID 163349250
tert-butyl N-[1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate
CID 112544390

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-[(3-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-2,2-dimethylpropanamide (CID 112542187) is N-[1-[(3-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-[(3-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-[(3-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-2,2-dimethylpropanamide is CC1CC(NC(=O)C(C)(C)C)CN(Cc2cccc(F)c2)C1.
What is the InChIKey of N-[1-[(3-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-2,2-dimethylpropanamide?
The InChIKey is CSVBUVRFLGWJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O/c1-13-8-16(20-17(22)18(2,3)4)12-21(10-13)11-14-6-5-7-15(19)9-14/h5-7,9,13,16H,8,10-12H2,1-4H3,(H,20,22).
What are the key properties of N-[1-[(3-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-2,2-dimethylpropanamide?
N-[1-[(3-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-2,2-dimethylpropanamide has a molecular weight of 306.42 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 112542187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).