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

C17H24F2N2O — CID 112542336

IUPACN-[1-(2,5-difluorophenyl)-5-methylpiperidin-3-yl]-2,2-dimethylpropanamide
SMILESCC1CC(NC(=O)C(C)(C)C)CN(c2cc(F)ccc2F)C1
InChIInChI=1S/C17H24F2N2O/c1-11-7-13(20-16(22)17(2,3)4)10-21(9-11)15-8-12(18)5-6-14(15)19/h5-6,8,11,13H,7,9-10H2,1-4H3,(H,20,22)
InChIKeyBZLOCVRMGDSBIO-UHFFFAOYSA-N
MW310.39 g/mol
LogP3.34
Rot. Bonds2

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

N-[1-(2,5-difluorophenyl)-5-methylpiperidin-3-yl]-2,2-dimethylpropanamide (PubChem CID 112542336) has the molecular formula C17H24F2N2O and a molecular weight of 310.39 g/mol. Its IUPAC name is N-[1-(2,5-difluorophenyl)-5-methylpiperidin-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-(2,5-difluorophenyl)-5-methylpiperidin-3-yl]-2,2-dimethylpropanamide
PubChem CID112542336
Molecular FormulaC17H24F2N2O
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC NameN-[1-(2,5-difluorophenyl)-5-methylpiperidin-3-yl]-2,2-dimethylpropanamide
SMILESCC1CC(NC(=O)C(C)(C)C)CN(c2cc(F)ccc2F)C1
InChIInChI=1S/C17H24F2N2O/c1-11-7-13(20-16(22)17(2,3)4)10-21(9-11)15-8-12(18)5-6-14(15)19/h5-6,8,11,13H,7,9-10H2,1-4H3,(H,20,22)
InChIKeyBZLOCVRMGDSBIO-UHFFFAOYSA-N
XLogP3.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(2,5-difluorophenyl)-5-methylpiperidin-3-yl]-2,2-dimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[1-(2,5-difluorophenyl)-5-methylpiperidin-3-yl]carbamate
CID 112544579
N-[1-(4-fluorophenyl)-5-methylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 112542322
N-[1-[(3-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 112542187
tert-butyl N-[1-(8-fluoroquinoxalin-5-yl)-5-methylpiperidin-3-yl]carbamate
CID 129276893
N-cyclopropyl-1-(2,4-difluorophenyl)-5-methylpiperidin-3-amine
CID 83991736
1-(2,4-difluorophenyl)-N-ethyl-5-methylpiperidin-3-amine
CID 83990463
2,2-dimethyl-N-(5-methyl-1-propan-2-ylpiperidin-3-yl)propanamide
CID 112542188
N-(1-cyclobutyl-5-methylpiperidin-3-yl)-2,2-dimethylpropanamide
CID 112542384
(3S)-1-(2,5-difluorophenyl)pyrrolidine-3-carboxylic acid
CID 155285048
tert-butyl N-[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]carbamate
CID 129240611
N-[1-(2-amino-2-oxoethyl)-5-methylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 112542492
1-(3,4-difluorophenyl)-N,5-dimethylpiperidin-3-amine
CID 83989825

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-difluorophenyl)-5-methylpiperidin-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-(2,5-difluorophenyl)-5-methylpiperidin-3-yl]-2,2-dimethylpropanamide (CID 112542336) is N-[1-(2,5-difluorophenyl)-5-methylpiperidin-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-(2,5-difluorophenyl)-5-methylpiperidin-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-(2,5-difluorophenyl)-5-methylpiperidin-3-yl]-2,2-dimethylpropanamide is CC1CC(NC(=O)C(C)(C)C)CN(c2cc(F)ccc2F)C1.
What is the InChIKey of N-[1-(2,5-difluorophenyl)-5-methylpiperidin-3-yl]-2,2-dimethylpropanamide?
The InChIKey is BZLOCVRMGDSBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O/c1-11-7-13(20-16(22)17(2,3)4)10-21(9-11)15-8-12(18)5-6-14(15)19/h5-6,8,11,13H,7,9-10H2,1-4H3,(H,20,22).
What are the key properties of N-[1-(2,5-difluorophenyl)-5-methylpiperidin-3-yl]-2,2-dimethylpropanamide?
N-[1-(2,5-difluorophenyl)-5-methylpiperidin-3-yl]-2,2-dimethylpropanamide has a molecular weight of 310.39 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-difluorophenyl)-5-methylpiperidin-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 112542336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).