N-[2-(difluoromethoxy)phenyl]-2-[(3S,4S)-3-(3-fluorophenoxy)-4-hydroxy-4-methylpiperidin-1-yl]acetamide

C21H23F3N2O4 — CID 110162405

IUPACN-[2-(difluoromethoxy)phenyl]-2-[(3S,4S)-3-(3-fluorophenoxy)-4-hydroxy-4-methylpiperidin-1-yl]acetamide
SMILESC[C@]1(O)CCN(CC(=O)Nc2ccccc2OC(F)F)C[C@@H]1Oc1cccc(F)c1
InChIInChI=1S/C21H23F3N2O4/c1-21(28)9-10-26(12-18(21)29-15-6-4-5-14(22)11-15)13-19(27)25-16-7-2-3-8-17(16)30-20(23)24/h2-8,11,18,20,28H,9-10,12-13H2,1H3,(H,25,27)/t18-,21-/m0/s1
InChIKeyVTRDYZZIHKZCPW-RXVVDRJESA-N
MW424.42 g/mol
LogP3.27
Rot. Bonds7

About N-[2-(difluoromethoxy)phenyl]-2-[(3S,4S)-3-(3-fluorophenoxy)-4-hydroxy-4-methylpiperidin-1-yl]acetamide

N-[2-(difluoromethoxy)phenyl]-2-[(3S,4S)-3-(3-fluorophenoxy)-4-hydroxy-4-methylpiperidin-1-yl]acetamide (PubChem CID 110162405) has the molecular formula C21H23F3N2O4 and a molecular weight of 424.42 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-2-[(3S,4S)-3-(3-fluorophenoxy)-4-hydroxy-4-methylpiperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-2-[(3S,4S)-3-(3-fluorophenoxy)-4-hydroxy-4-methylpiperidin-1-yl]acetamide
PubChem CID110162405
Molecular FormulaC21H23F3N2O4
Molecular Weight424.42 g/mol
Exact Mass424.16
IUPAC NameN-[2-(difluoromethoxy)phenyl]-2-[(3S,4S)-3-(3-fluorophenoxy)-4-hydroxy-4-methylpiperidin-1-yl]acetamide
SMILESC[C@]1(O)CCN(CC(=O)Nc2ccccc2OC(F)F)C[C@@H]1Oc1cccc(F)c1
InChIInChI=1S/C21H23F3N2O4/c1-21(28)9-10-26(12-18(21)29-15-6-4-5-14(22)11-15)13-19(27)25-16-7-2-3-8-17(16)30-20(23)24/h2-8,11,18,20,28H,9-10,12-13H2,1H3,(H,25,27)/t18-,21-/m0/s1
InChIKeyVTRDYZZIHKZCPW-RXVVDRJESA-N
XLogP3.27
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.42
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-fluoro-2-methylphenyl)-2-[(3S,4S)-3-(3-fluorophenoxy)-4-hydroxy-4-methylpiperidin-1-yl]acetamide
CID 110162295
2-[(3S,4S)-4-(3-fluorophenoxy)-3-hydroxy-3-methylpiperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 110162422
N-(2-fluoro-5-methylphenyl)-2-[(3S,4S)-4-(3-fluorophenoxy)-3-hydroxy-3-methylpiperidin-1-yl]acetamide
CID 110162302
2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 55565889
N-(2-ethylphenyl)-2-[(3S,4S)-3-(4-fluorophenoxy)-4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]acetamide
CID 110162277
N-[2-(difluoromethoxy)phenyl]-2-[(5R,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide
CID 129456942
2-amino-1-[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxy-4-methylpiperidin-1-yl]ethanone
CID 110146277
N-[2-(difluoromethoxy)phenyl]-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 51313371
(3S,4S)-3-(3-fluorophenoxy)-4-methyl-1-[(4-methylsulfonylphenyl)methyl]piperidin-4-ol
CID 110154887
4-[(3S,4S)-3-(3-fluorophenoxy)-4-hydroxy-4-methylpiperidin-1-yl]-4-oxobutanoic acid
CID 110145954
N-[2-(difluoromethoxy)phenyl]-2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]acetamide
CID 110162152
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 51159910

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-2-[(3S,4S)-3-(3-fluorophenoxy)-4-hydroxy-4-methylpiperidin-1-yl]acetamide?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-2-[(3S,4S)-3-(3-fluorophenoxy)-4-hydroxy-4-methylpiperidin-1-yl]acetamide (CID 110162405) is N-[2-(difluoromethoxy)phenyl]-2-[(3S,4S)-3-(3-fluorophenoxy)-4-hydroxy-4-methylpiperidin-1-yl]acetamide.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-2-[(3S,4S)-3-(3-fluorophenoxy)-4-hydroxy-4-methylpiperidin-1-yl]acetamide?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-2-[(3S,4S)-3-(3-fluorophenoxy)-4-hydroxy-4-methylpiperidin-1-yl]acetamide is C[C@]1(O)CCN(CC(=O)Nc2ccccc2OC(F)F)C[C@@H]1Oc1cccc(F)c1.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-2-[(3S,4S)-3-(3-fluorophenoxy)-4-hydroxy-4-methylpiperidin-1-yl]acetamide?
The InChIKey is VTRDYZZIHKZCPW-RXVVDRJESA-N. The full InChI is InChI=1S/C21H23F3N2O4/c1-21(28)9-10-26(12-18(21)29-15-6-4-5-14(22)11-15)13-19(27)25-16-7-2-3-8-17(16)30-20(23)24/h2-8,11,18,20,28H,9-10,12-13H2,1H3,(H,25,27)/t18-,21-/m0/s1.
What are the key properties of N-[2-(difluoromethoxy)phenyl]-2-[(3S,4S)-3-(3-fluorophenoxy)-4-hydroxy-4-methylpiperidin-1-yl]acetamide?
N-[2-(difluoromethoxy)phenyl]-2-[(3S,4S)-3-(3-fluorophenoxy)-4-hydroxy-4-methylpiperidin-1-yl]acetamide has a molecular weight of 424.42 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]-2-[(3S,4S)-3-(3-fluorophenoxy)-4-hydroxy-4-methylpiperidin-1-yl]acetamide is sourced from PubChem (CID 110162405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).