N-[3-(3,5-difluorophenyl)-1-[6-(3,3-dimethylbutyl)piperidin-2-yl]-1-hydroxypropan-2-yl]acetamide

C22H34F2N2O2 — CID 11639839

IUPACN-[3-(3,5-difluorophenyl)-1-[6-(3,3-dimethylbutyl)piperidin-2-yl]-1-hydroxypropan-2-yl]acetamide
SMILESCC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C1CCCC(CCC(C)(C)C)N1
InChIInChI=1S/C22H34F2N2O2/c1-14(27)25-20(12-15-10-16(23)13-17(24)11-15)21(28)19-7-5-6-18(26-19)8-9-22(2,3)4/h10-11,13,18-21,26,28H,5-9,12H2,1-4H3,(H,25,27)
InChIKeyKXUWDHQVSILMJT-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.71
Rot. Bonds7

About N-[3-(3,5-difluorophenyl)-1-[6-(3,3-dimethylbutyl)piperidin-2-yl]-1-hydroxypropan-2-yl]acetamide

N-[3-(3,5-difluorophenyl)-1-[6-(3,3-dimethylbutyl)piperidin-2-yl]-1-hydroxypropan-2-yl]acetamide (PubChem CID 11639839) has the molecular formula C22H34F2N2O2 and a molecular weight of 396.52 g/mol. Its IUPAC name is N-[3-(3,5-difluorophenyl)-1-[6-(3,3-dimethylbutyl)piperidin-2-yl]-1-hydroxypropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-(3,5-difluorophenyl)-1-[6-(3,3-dimethylbutyl)piperidin-2-yl]-1-hydroxypropan-2-yl]acetamide
PubChem CID11639839
Molecular FormulaC22H34F2N2O2
Molecular Weight396.52 g/mol
Exact Mass396.26
IUPAC NameN-[3-(3,5-difluorophenyl)-1-[6-(3,3-dimethylbutyl)piperidin-2-yl]-1-hydroxypropan-2-yl]acetamide
SMILESCC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C1CCCC(CCC(C)(C)C)N1
InChIInChI=1S/C22H34F2N2O2/c1-14(27)25-20(12-15-10-16(23)13-17(24)11-15)21(28)19-7-5-6-18(26-19)8-9-22(2,3)4/h10-11,13,18-21,26,28H,5-9,12H2,1-4H3,(H,25,27)
InChIKeyKXUWDHQVSILMJT-UHFFFAOYSA-N
XLogP3.71
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1s,2r)-3-{[1-(3-Tert-Butylphenyl)cyclohexyl]amino}-1-(3,5-Difluorobenzyl)-2-Hydroxypropyl]acetamide
CID 11754571
N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(3-isobutylphenyl)cyclohexylamino)butan-2-yl)acetamide
CID 10005029
N-((2S,3R)-4-(4-(3-tert-butylphenyl)tetrahydro-2H-pyran-4-ylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide
CID 10005121
N-((2S,3R)-1-(3,5-difluorophenyl)-4-(1-(3-ethylphenyl)cyclohexylamino)-3-hydroxybutan-2-yl)acetamide
CID 10366180
Acetamide,N-[(1S,2S)-1-[(3,5-difluorophenyl)methyl]-2-[(3R,5S,6R)-6-(2,2-dimethylpropoxy)-5-methyl-3-morpholinyl]-2-hydroxyethyl]hydrochloride salt
CID 11669598
(2S)-2-amino-N-[(2S,4S)-4-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-hydroxy-1,5-diphenylpentan-2-yl]-3-methylbutanamide
CID 18655622
N-((2S,3R)-4-(4-(3-tert-butylphenyl)piperidin-4-ylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide
CID 45486942
4-((2R,3S)-3-acetamido-4-(3,5-difluorophenyl)-2-hydroxybutylamino)-4-(3-tert-butylphenyl)piperidine-1-carboxamide
CID 45486956
trans-N-((2S,3R)-4-(1-(3-tert-butylphenyl)-4-hydroxycyclohexylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide
CID 45486960
N-((2S,3R)-4-(1-(3-(1,1-difluoro-2-methylpropan-2-yl)phenyl)cyclopropylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide
CID 49831178
N-((2S,3R)-4-(1-(3-((E)-but-2-en-2-yl)phenyl)cyclohexylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide
CID 49862037
N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(3-tert-pentylphenyl)cyclohexylamino)butan-2-yl)acetamide
CID 49862038

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-difluorophenyl)-1-[6-(3,3-dimethylbutyl)piperidin-2-yl]-1-hydroxypropan-2-yl]acetamide?
The IUPAC name of N-[3-(3,5-difluorophenyl)-1-[6-(3,3-dimethylbutyl)piperidin-2-yl]-1-hydroxypropan-2-yl]acetamide (CID 11639839) is N-[3-(3,5-difluorophenyl)-1-[6-(3,3-dimethylbutyl)piperidin-2-yl]-1-hydroxypropan-2-yl]acetamide.
What is the SMILES notation for N-[3-(3,5-difluorophenyl)-1-[6-(3,3-dimethylbutyl)piperidin-2-yl]-1-hydroxypropan-2-yl]acetamide?
The canonical SMILES for N-[3-(3,5-difluorophenyl)-1-[6-(3,3-dimethylbutyl)piperidin-2-yl]-1-hydroxypropan-2-yl]acetamide is CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C1CCCC(CCC(C)(C)C)N1.
What is the InChIKey of N-[3-(3,5-difluorophenyl)-1-[6-(3,3-dimethylbutyl)piperidin-2-yl]-1-hydroxypropan-2-yl]acetamide?
The InChIKey is KXUWDHQVSILMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34F2N2O2/c1-14(27)25-20(12-15-10-16(23)13-17(24)11-15)21(28)19-7-5-6-18(26-19)8-9-22(2,3)4/h10-11,13,18-21,26,28H,5-9,12H2,1-4H3,(H,25,27).
What are the key properties of N-[3-(3,5-difluorophenyl)-1-[6-(3,3-dimethylbutyl)piperidin-2-yl]-1-hydroxypropan-2-yl]acetamide?
N-[3-(3,5-difluorophenyl)-1-[6-(3,3-dimethylbutyl)piperidin-2-yl]-1-hydroxypropan-2-yl]acetamide has a molecular weight of 396.52 g/mol, XLogP of 3.71, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-difluorophenyl)-1-[6-(3,3-dimethylbutyl)piperidin-2-yl]-1-hydroxypropan-2-yl]acetamide is sourced from PubChem (CID 11639839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).