N-[[1-[3-(4-fluorophenoxy)-2-hydroxypropyl]piperidin-3-yl]methyl]acetamide

C17H25FN2O3 — CID 110908283

IUPACN-[[1-[3-(4-fluorophenoxy)-2-hydroxypropyl]piperidin-3-yl]methyl]acetamide
SMILESCC(=O)NCC1CCCN(CC(O)COc2ccc(F)cc2)C1
InChIInChI=1S/C17H25FN2O3/c1-13(21)19-9-14-3-2-8-20(10-14)11-16(22)12-23-17-6-4-15(18)5-7-17/h4-7,14,16,22H,2-3,8-12H2,1H3,(H,19,21)
InChIKeyNVBWTSAQVIRWRO-UHFFFAOYSA-N
MW324.40 g/mol
LogP1.41
Rot. Bonds7

About N-[[1-[3-(4-fluorophenoxy)-2-hydroxypropyl]piperidin-3-yl]methyl]acetamide

N-[[1-[3-(4-fluorophenoxy)-2-hydroxypropyl]piperidin-3-yl]methyl]acetamide (PubChem CID 110908283) has the molecular formula C17H25FN2O3 and a molecular weight of 324.40 g/mol. Its IUPAC name is N-[[1-[3-(4-fluorophenoxy)-2-hydroxypropyl]piperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[3-(4-fluorophenoxy)-2-hydroxypropyl]piperidin-3-yl]methyl]acetamide
PubChem CID110908283
Molecular FormulaC17H25FN2O3
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC NameN-[[1-[3-(4-fluorophenoxy)-2-hydroxypropyl]piperidin-3-yl]methyl]acetamide
SMILESCC(=O)NCC1CCCN(CC(O)COc2ccc(F)cc2)C1
InChIInChI=1S/C17H25FN2O3/c1-13(21)19-9-14-3-2-8-20(10-14)11-16(22)12-23-17-6-4-15(18)5-7-17/h4-7,14,16,22H,2-3,8-12H2,1H3,(H,19,21)
InChIKeyNVBWTSAQVIRWRO-UHFFFAOYSA-N
XLogP1.41
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-3-yl]methyl]-2-methylpropanamide
CID 110922141
1-[3-(ethoxymethyl)piperidin-1-yl]-3-(4-fluorophenoxy)propan-2-ol
CID 111148127
N-[4-[(2S)-2-hydroxy-3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]acetamide
CID 51422944
(2R)-1-(4-fluorophenoxy)-3-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol
CID 100841295
(2S)-1-(4-fluorophenoxy)-3-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol
CID 95333116
N-(cyclopropylmethyl)-1-(2-hydroxy-3-phenoxypropyl)piperidine-3-carboxamide
CID 110892635
N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]acetamide
CID 95187387
2-[1-[3-(4-ethylphenoxy)-2-hydroxypropyl]piperidin-3-yl]acetamide
CID 111565370
1-[4-[(2S)-2-hydroxy-3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]ethanone
CID 7125581
1-(4-aminophenoxy)-3-[3-(hydroxymethyl)piperidin-1-yl]propan-2-ol
CID 43590041
1-[4-[2-hydroxy-3-[3-(phenoxymethyl)piperidin-1-yl]propoxy]phenyl]propan-1-one
CID 86973070
N-[[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]acetamide
CID 111379146

Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-(4-fluorophenoxy)-2-hydroxypropyl]piperidin-3-yl]methyl]acetamide?
The IUPAC name of N-[[1-[3-(4-fluorophenoxy)-2-hydroxypropyl]piperidin-3-yl]methyl]acetamide (CID 110908283) is N-[[1-[3-(4-fluorophenoxy)-2-hydroxypropyl]piperidin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[3-(4-fluorophenoxy)-2-hydroxypropyl]piperidin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[3-(4-fluorophenoxy)-2-hydroxypropyl]piperidin-3-yl]methyl]acetamide is CC(=O)NCC1CCCN(CC(O)COc2ccc(F)cc2)C1.
What is the InChIKey of N-[[1-[3-(4-fluorophenoxy)-2-hydroxypropyl]piperidin-3-yl]methyl]acetamide?
The InChIKey is NVBWTSAQVIRWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O3/c1-13(21)19-9-14-3-2-8-20(10-14)11-16(22)12-23-17-6-4-15(18)5-7-17/h4-7,14,16,22H,2-3,8-12H2,1H3,(H,19,21).
What are the key properties of N-[[1-[3-(4-fluorophenoxy)-2-hydroxypropyl]piperidin-3-yl]methyl]acetamide?
N-[[1-[3-(4-fluorophenoxy)-2-hydroxypropyl]piperidin-3-yl]methyl]acetamide has a molecular weight of 324.40 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-(4-fluorophenoxy)-2-hydroxypropyl]piperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 110908283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).