2-[1-[3-(4-ethylphenoxy)-2-hydroxypropyl]piperidin-3-yl]acetamide

C18H28N2O3 — CID 111565370

IUPAC2-[1-[3-(4-ethylphenoxy)-2-hydroxypropyl]piperidin-3-yl]acetamide
SMILESCCc1ccc(OCC(O)CN2CCCC(CC(N)=O)C2)cc1
InChIInChI=1S/C18H28N2O3/c1-2-14-5-7-17(8-6-14)23-13-16(21)12-20-9-3-4-15(11-20)10-18(19)22/h5-8,15-16,21H,2-4,9-13H2,1H3,(H2,19,22)
InChIKeyBWDUGJWNLRBIOE-UHFFFAOYSA-N
MW320.43 g/mol
LogP1.58
Rot. Bonds8

About 2-[1-[3-(4-ethylphenoxy)-2-hydroxypropyl]piperidin-3-yl]acetamide

2-[1-[3-(4-ethylphenoxy)-2-hydroxypropyl]piperidin-3-yl]acetamide (PubChem CID 111565370) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 2-[1-[3-(4-ethylphenoxy)-2-hydroxypropyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-[3-(4-ethylphenoxy)-2-hydroxypropyl]piperidin-3-yl]acetamide
PubChem CID111565370
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name2-[1-[3-(4-ethylphenoxy)-2-hydroxypropyl]piperidin-3-yl]acetamide
SMILESCCc1ccc(OCC(O)CN2CCCC(CC(N)=O)C2)cc1
InChIInChI=1S/C18H28N2O3/c1-2-14-5-7-17(8-6-14)23-13-16(21)12-20-9-3-4-15(11-20)10-18(19)22/h5-8,15-16,21H,2-4,9-13H2,1H3,(H2,19,22)
InChIKeyBWDUGJWNLRBIOE-UHFFFAOYSA-N
XLogP1.58
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4-ethylphenoxy)-2-hydroxypropyl]-N,N-dimethylpiperidine-3-carboxamide
CID 110909722
2-[1-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidin-3-yl]acetamide
CID 111565362
2-[1-(3-cyclopentyl-2-hydroxypropyl)piperidin-3-yl]acetamide
CID 119035061
2-[1-[3-(4-ethylphenoxy)-2-hydroxypropyl]piperidin-4-yl]-N-methylacetamide
CID 111565278
1-(4-aminophenoxy)-3-[3-(hydroxymethyl)piperidin-1-yl]propan-2-ol
CID 43590041
1-cyclopentyl-3-(4-ethylphenoxy)propan-2-ol
CID 103160577
1-[4-[2-hydroxy-3-[3-(phenoxymethyl)piperidin-1-yl]propoxy]phenyl]propan-1-one
CID 86973070
1-[3-(ethoxymethyl)piperidin-1-yl]-3-(4-fluorophenoxy)propan-2-ol
CID 111148127
N-[[1-[3-(4-fluorophenoxy)-2-hydroxypropyl]piperidin-3-yl]methyl]acetamide
CID 110908283
N-[[1-[2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-3-yl]methyl]-2-methylpropanamide
CID 110922141
2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]acetamide
CID 69347773
2-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 18087043

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(4-ethylphenoxy)-2-hydroxypropyl]piperidin-3-yl]acetamide?
The IUPAC name of 2-[1-[3-(4-ethylphenoxy)-2-hydroxypropyl]piperidin-3-yl]acetamide (CID 111565370) is 2-[1-[3-(4-ethylphenoxy)-2-hydroxypropyl]piperidin-3-yl]acetamide.
What is the SMILES notation for 2-[1-[3-(4-ethylphenoxy)-2-hydroxypropyl]piperidin-3-yl]acetamide?
The canonical SMILES for 2-[1-[3-(4-ethylphenoxy)-2-hydroxypropyl]piperidin-3-yl]acetamide is CCc1ccc(OCC(O)CN2CCCC(CC(N)=O)C2)cc1.
What is the InChIKey of 2-[1-[3-(4-ethylphenoxy)-2-hydroxypropyl]piperidin-3-yl]acetamide?
The InChIKey is BWDUGJWNLRBIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-2-14-5-7-17(8-6-14)23-13-16(21)12-20-9-3-4-15(11-20)10-18(19)22/h5-8,15-16,21H,2-4,9-13H2,1H3,(H2,19,22).
What are the key properties of 2-[1-[3-(4-ethylphenoxy)-2-hydroxypropyl]piperidin-3-yl]acetamide?
2-[1-[3-(4-ethylphenoxy)-2-hydroxypropyl]piperidin-3-yl]acetamide has a molecular weight of 320.43 g/mol, XLogP of 1.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(4-ethylphenoxy)-2-hydroxypropyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 111565370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).