N-[1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetamide

C15H20F2N2O2 — CID 49438404

IUPACN-[1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(CC(O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C15H20F2N2O2/c1-10(20)18-12-4-6-19(7-5-12)9-15(21)11-2-3-13(16)14(17)8-11/h2-3,8,12,15,21H,4-7,9H2,1H3,(H,18,20)
InChIKeyNWHXHGWUFCWGSU-UHFFFAOYSA-N
MW298.33 g/mol
LogP1.60
Rot. Bonds4

About N-[1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetamide

N-[1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetamide (PubChem CID 49438404) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is N-[1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetamide
PubChem CID49438404
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC NameN-[1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(CC(O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C15H20F2N2O2/c1-10(20)18-12-4-6-19(7-5-12)9-15(21)11-2-3-13(16)14(17)8-11/h2-3,8,12,15,21H,4-7,9H2,1H3,(H,18,20)
InChIKeyNWHXHGWUFCWGSU-UHFFFAOYSA-N
XLogP1.60
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]piperidin-3-yl]propanamide
CID 110911083
1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-[1-(3,4-difluorophenyl)ethyl]urea
CID 48955301
1-(3,4-difluorophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanol
CID 110912985
(2R)-1-[4-[(2R)-2-(3,4-difluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 95309106
1-(3,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)ethanol
CID 82217074
tert-butyl N-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]carbamate
CID 56771223
N-[1-[(2S)-2-(3-chlorophenyl)propyl]piperidin-4-yl]acetamide
CID 99823532
1-(3,4-difluorophenyl)-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanol
CID 110899957
2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-1-(3,4-difluorophenyl)ethanol
CID 110898682
N-(1-benzylpiperidin-4-yl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 8639280
1-[1-[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]piperidin-4-yl]-3-(4-fluorophenyl)urea
CID 51119941
2-[4-[1-(3,4-difluorophenyl)ethylcarbamoylamino]piperidin-1-yl]-N,N-dimethylacetamide
CID 136524638

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetamide (CID 49438404) is N-[1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(CC(O)c2ccc(F)c(F)c2)CC1.
What is the InChIKey of N-[1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetamide?
The InChIKey is NWHXHGWUFCWGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c1-10(20)18-12-4-6-19(7-5-12)9-15(21)11-2-3-13(16)14(17)8-11/h2-3,8,12,15,21H,4-7,9H2,1H3,(H,18,20).
What are the key properties of N-[1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetamide?
N-[1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetamide has a molecular weight of 298.33 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 49438404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).