N-[4-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]phenyl]-2-methylpropanamide

C17H25F2N3O — CID 75476798

IUPACN-[4-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(NC2CCN(CC(F)F)CC2)cc1
InChIInChI=1S/C17H25F2N3O/c1-12(2)17(23)21-14-5-3-13(4-6-14)20-15-7-9-22(10-8-15)11-16(18)19/h3-6,12,15-16,20H,7-11H2,1-2H3,(H,21,23)
InChIKeySFMCUXGLTPQOCG-UHFFFAOYSA-N
MW325.40 g/mol
LogP3.42
Rot. Bonds6

About N-[4-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]phenyl]-2-methylpropanamide

N-[4-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]phenyl]-2-methylpropanamide (PubChem CID 75476798) has the molecular formula C17H25F2N3O and a molecular weight of 325.40 g/mol. Its IUPAC name is N-[4-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]phenyl]-2-methylpropanamide
PubChem CID75476798
Molecular FormulaC17H25F2N3O
Molecular Weight325.40 g/mol
Exact Mass325.20
IUPAC NameN-[4-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(NC2CCN(CC(F)F)CC2)cc1
InChIInChI=1S/C17H25F2N3O/c1-12(2)17(23)21-14-5-3-13(4-6-14)20-15-7-9-22(10-8-15)11-16(18)19/h3-6,12,15-16,20H,7-11H2,1-2H3,(H,21,23)
InChIKeySFMCUXGLTPQOCG-UHFFFAOYSA-N
XLogP3.42
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(1-ethylpiperidin-4-yl)amino]phenyl]-2-methylpropanamide
CID 43683732
N-(3,4-difluorophenyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103932415
N-[4-[(1-propylpiperidin-4-yl)amino]phenyl]propanamide
CID 43720611
2-methyl-N-[4-(oxolan-3-ylamino)phenyl]propanamide
CID 55200964
2-methyl-N-[4-(thiolan-3-ylamino)phenyl]propanamide
CID 43683733
N-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]phenyl]acetamide
CID 43756950
1-[4-[4-(difluoromethylsulfanyl)anilino]piperidin-1-yl]ethanone
CID 43779000
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-(methylsulfamoyl)benzamide
CID 49074013
4-[[1-(2-methylpropyl)piperidin-4-yl]amino]-N-phenylpiperidine-1-carboxamide
CID 56717075
1-[4-(4-methylanilino)piperidin-1-yl]ethanone
CID 5307205
1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-[1-(3,4-difluorophenyl)ethyl]urea
CID 48955301
1-[4-(4-fluoro-3-methylanilino)piperidin-1-yl]ethanone
CID 62810559

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]phenyl]-2-methylpropanamide (CID 75476798) is N-[4-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(NC2CCN(CC(F)F)CC2)cc1.
What is the InChIKey of N-[4-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]phenyl]-2-methylpropanamide?
The InChIKey is SFMCUXGLTPQOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N3O/c1-12(2)17(23)21-14-5-3-13(4-6-14)20-15-7-9-22(10-8-15)11-16(18)19/h3-6,12,15-16,20H,7-11H2,1-2H3,(H,21,23).
What are the key properties of N-[4-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]phenyl]-2-methylpropanamide?
N-[4-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]phenyl]-2-methylpropanamide has a molecular weight of 325.40 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 75476798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).