N-[3-(3,5-difluorophenyl)-1-hydroxy-1-piperidin-2-ylpropan-2-yl]acetamide

C16H22F2N2O2 — CID 11645288

IUPACN-[3-(3,5-difluorophenyl)-1-hydroxy-1-piperidin-2-ylpropan-2-yl]acetamide
SMILESCC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C1CCCCN1
InChIInChI=1S/C16H22F2N2O2/c1-10(21)20-15(16(22)14-4-2-3-5-19-14)8-11-6-12(17)9-13(18)7-11/h6-7,9,14-16,19,22H,2-5,8H2,1H3,(H,20,21)
InChIKeyUXEXQKWWBXXZED-UHFFFAOYSA-N
MW312.36 g/mol
LogP1.51
Rot. Bonds5

About N-[3-(3,5-difluorophenyl)-1-hydroxy-1-piperidin-2-ylpropan-2-yl]acetamide

N-[3-(3,5-difluorophenyl)-1-hydroxy-1-piperidin-2-ylpropan-2-yl]acetamide (PubChem CID 11645288) has the molecular formula C16H22F2N2O2 and a molecular weight of 312.36 g/mol. Its IUPAC name is N-[3-(3,5-difluorophenyl)-1-hydroxy-1-piperidin-2-ylpropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-(3,5-difluorophenyl)-1-hydroxy-1-piperidin-2-ylpropan-2-yl]acetamide
PubChem CID11645288
Molecular FormulaC16H22F2N2O2
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC NameN-[3-(3,5-difluorophenyl)-1-hydroxy-1-piperidin-2-ylpropan-2-yl]acetamide
SMILESCC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C1CCCCN1
InChIInChI=1S/C16H22F2N2O2/c1-10(21)20-15(16(22)14-4-2-3-5-19-14)8-11-6-12(17)9-13(18)7-11/h6-7,9,14-16,19,22H,2-5,8H2,1H3,(H,20,21)
InChIKeyUXEXQKWWBXXZED-UHFFFAOYSA-N
XLogP1.51
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 51.51
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
(4R,5R,6R)-Tetrahydro-5-hydroxy-4-(2-phenylethyl)-6-(phenylmethyl)-2(1H)-pyrimidinone
CID 475826
N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(3-isobutylphenyl)cyclohexylamino)butan-2-yl)acetamide
CID 10005029
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
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
N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(3-(prop-1-en-2-yl)phenyl)cyclohexylamino)butan-2-yl)acetamide
CID 49862831
N-((2S,3R)-4-(1-(3-tert-butylphenyl)cyclopropylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide
CID 52942524
N-((2S,3R)-4-(1-(3-tert-butyl-5-methylphenyl)cyclohexylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide
CID 52944038

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-difluorophenyl)-1-hydroxy-1-piperidin-2-ylpropan-2-yl]acetamide?
The IUPAC name of N-[3-(3,5-difluorophenyl)-1-hydroxy-1-piperidin-2-ylpropan-2-yl]acetamide (CID 11645288) is N-[3-(3,5-difluorophenyl)-1-hydroxy-1-piperidin-2-ylpropan-2-yl]acetamide.
What is the SMILES notation for N-[3-(3,5-difluorophenyl)-1-hydroxy-1-piperidin-2-ylpropan-2-yl]acetamide?
The canonical SMILES for N-[3-(3,5-difluorophenyl)-1-hydroxy-1-piperidin-2-ylpropan-2-yl]acetamide is CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C1CCCCN1.
What is the InChIKey of N-[3-(3,5-difluorophenyl)-1-hydroxy-1-piperidin-2-ylpropan-2-yl]acetamide?
The InChIKey is UXEXQKWWBXXZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O2/c1-10(21)20-15(16(22)14-4-2-3-5-19-14)8-11-6-12(17)9-13(18)7-11/h6-7,9,14-16,19,22H,2-5,8H2,1H3,(H,20,21).
What are the key properties of N-[3-(3,5-difluorophenyl)-1-hydroxy-1-piperidin-2-ylpropan-2-yl]acetamide?
N-[3-(3,5-difluorophenyl)-1-hydroxy-1-piperidin-2-ylpropan-2-yl]acetamide has a molecular weight of 312.36 g/mol, XLogP of 1.51, 5 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-hydroxy-1-piperidin-2-ylpropan-2-yl]acetamide is sourced from PubChem (CID 11645288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).