N-[(1R)-2-(2,4-difluorophenyl)-1-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]ethyl]-N-methylpropanamide

C22H32F2N2O2 — CID 42321493

IUPACN-[(1R)-2-(2,4-difluorophenyl)-1-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]ethyl]-N-methylpropanamide
SMILESCCC(=O)N(C)[C@H](Cc1ccc(F)cc1F)C1CCN(C(=O)[C@@H](C)CC)CC1
InChIInChI=1S/C22H32F2N2O2/c1-5-15(3)22(28)26-11-9-16(10-12-26)20(25(4)21(27)6-2)13-17-7-8-18(23)14-19(17)24/h7-8,14-16,20H,5-6,9-13H2,1-4H3/t15-,20+/m0/s1
InChIKeyVAJHBUMSOOOKCK-MGPUTAFESA-N
MW394.51 g/mol
LogP4.03
Rot. Bonds7

About N-[(1R)-2-(2,4-difluorophenyl)-1-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]ethyl]-N-methylpropanamide

N-[(1R)-2-(2,4-difluorophenyl)-1-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]ethyl]-N-methylpropanamide (PubChem CID 42321493) has the molecular formula C22H32F2N2O2 and a molecular weight of 394.51 g/mol. Its IUPAC name is N-[(1R)-2-(2,4-difluorophenyl)-1-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]ethyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[(1R)-2-(2,4-difluorophenyl)-1-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]ethyl]-N-methylpropanamide
PubChem CID42321493
Molecular FormulaC22H32F2N2O2
Molecular Weight394.51 g/mol
Exact Mass394.24
IUPAC NameN-[(1R)-2-(2,4-difluorophenyl)-1-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]ethyl]-N-methylpropanamide
SMILESCCC(=O)N(C)[C@H](Cc1ccc(F)cc1F)C1CCN(C(=O)[C@@H](C)CC)CC1
InChIInChI=1S/C22H32F2N2O2/c1-5-15(3)22(28)26-11-9-16(10-12-26)20(25(4)21(27)6-2)13-17-7-8-18(23)14-19(17)24/h7-8,14-16,20H,5-6,9-13H2,1-4H3/t15-,20+/m0/s1
InChIKeyVAJHBUMSOOOKCK-MGPUTAFESA-N
XLogP4.03
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.51
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,4-difluorophenyl)-1-[1-(oxolane-3-carbonyl)piperidin-4-yl]ethyl]-N-methylpropanamide
CID 126467054
N-[(1S)-2-(2,4-difluorophenyl)-1-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]ethyl]-N-methylpropanamide
CID 42382240
N-[(1S)-2-(2,4-difluorophenyl)-1-(1-propanoylpiperidin-4-yl)ethyl]-N-methylcyclopropanecarboxamide
CID 42539918
N-[2-(2,4-difluorophenyl)-1-[1-[4-(5-methylfuran-2-yl)benzoyl]piperidin-4-yl]ethyl]-N-methylpropanamide
CID 118754965
N-[(1S)-2-(2,4-difluorophenyl)-1-[1-[(1S)-3-oxo-1,2-dihydroindene-1-carbonyl]piperidin-4-yl]ethyl]-N-methylcyclopropanecarboxamide
CID 26360938
N-[2-(2,4-difluorophenyl)-1-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]ethyl]-N-methylcyclopropanecarboxamide
CID 45220656
N-[(1R)-2-(2,4-difluorophenyl)-1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide
CID 42462495
N-[(1R)-2-(2,4-difluorophenyl)-1-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide
CID 42345770
1-[4-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-1-yl]-2-methylbutan-1-one
CID 15839520
4-fluoro-N-[1-(2-methylbutanoyl)piperidin-4-yl]benzamide
CID 46592883
N-[2-(4-fluorophenyl)-1-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide
CID 126465226
2-[(2,4-difluorophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 62050086

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(2,4-difluorophenyl)-1-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]ethyl]-N-methylpropanamide?
The IUPAC name of N-[(1R)-2-(2,4-difluorophenyl)-1-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]ethyl]-N-methylpropanamide (CID 42321493) is N-[(1R)-2-(2,4-difluorophenyl)-1-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]ethyl]-N-methylpropanamide.
What is the SMILES notation for N-[(1R)-2-(2,4-difluorophenyl)-1-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]ethyl]-N-methylpropanamide?
The canonical SMILES for N-[(1R)-2-(2,4-difluorophenyl)-1-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]ethyl]-N-methylpropanamide is CCC(=O)N(C)[C@H](Cc1ccc(F)cc1F)C1CCN(C(=O)[C@@H](C)CC)CC1.
What is the InChIKey of N-[(1R)-2-(2,4-difluorophenyl)-1-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]ethyl]-N-methylpropanamide?
The InChIKey is VAJHBUMSOOOKCK-MGPUTAFESA-N. The full InChI is InChI=1S/C22H32F2N2O2/c1-5-15(3)22(28)26-11-9-16(10-12-26)20(25(4)21(27)6-2)13-17-7-8-18(23)14-19(17)24/h7-8,14-16,20H,5-6,9-13H2,1-4H3/t15-,20+/m0/s1.
What are the key properties of N-[(1R)-2-(2,4-difluorophenyl)-1-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]ethyl]-N-methylpropanamide?
N-[(1R)-2-(2,4-difluorophenyl)-1-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]ethyl]-N-methylpropanamide has a molecular weight of 394.51 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(2,4-difluorophenyl)-1-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]ethyl]-N-methylpropanamide is sourced from PubChem (CID 42321493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).