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

C19H30N2O3 — CID 111565278

IUPAC2-[1-[3-(4-ethylphenoxy)-2-hydroxypropyl]piperidin-4-yl]-N-methylacetamide
SMILESCCc1ccc(OCC(O)CN2CCC(CC(=O)NC)CC2)cc1
InChIInChI=1S/C19H30N2O3/c1-3-15-4-6-18(7-5-15)24-14-17(22)13-21-10-8-16(9-11-21)12-19(23)20-2/h4-7,16-17,22H,3,8-14H2,1-2H3,(H,20,23)
InChIKeyJPBQBMRKQQKFGY-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.84
Rot. Bonds8

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

2-[1-[3-(4-ethylphenoxy)-2-hydroxypropyl]piperidin-4-yl]-N-methylacetamide (PubChem CID 111565278) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-[1-[3-(4-ethylphenoxy)-2-hydroxypropyl]piperidin-4-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[1-[3-(4-ethylphenoxy)-2-hydroxypropyl]piperidin-4-yl]-N-methylacetamide
PubChem CID111565278
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name2-[1-[3-(4-ethylphenoxy)-2-hydroxypropyl]piperidin-4-yl]-N-methylacetamide
SMILESCCc1ccc(OCC(O)CN2CCC(CC(=O)NC)CC2)cc1
InChIInChI=1S/C19H30N2O3/c1-3-15-4-6-18(7-5-15)24-14-17(22)13-21-10-8-16(9-11-21)12-19(23)20-2/h4-7,16-17,22H,3,8-14H2,1-2H3,(H,20,23)
InChIKeyJPBQBMRKQQKFGY-UHFFFAOYSA-N
XLogP1.84
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[3-[4-[[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]methyl]phenoxy]-2-hydroxypropyl]piperidin-4-yl]-N-methylacetamide
CID 172671171
2-[1-[3-(4-ethylphenoxy)-2-hydroxypropyl]piperidin-3-yl]acetamide
CID 111565370
N-cyclopropyl-2-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]acetamide
CID 60909778
1-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-N-methylpiperidine-4-carboxamide
CID 110882716
methyl 4-[3-(4-benzylpiperidin-1-yl)-2-hydroxypropoxy]benzoate chloride
CID 46863809
(2S)-1-(4-methylpiperidin-1-yl)-3-(4-propylphenoxy)propan-2-ol
CID 753615
1-[4-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]ethanone
CID 46596157
1-[3-(4-ethylphenoxy)-2-hydroxypropyl]-N,N-dimethylpiperidine-3-carboxamide
CID 110909722
(2R)-1-(4-ethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 722988
[4-[3-(4-bromophenoxy)-2-hydroxypropyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 46596156
4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]benzoic acid
CID 6486810
1-[4-(aminomethyl)phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 43253309

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(4-ethylphenoxy)-2-hydroxypropyl]piperidin-4-yl]-N-methylacetamide?
The IUPAC name of 2-[1-[3-(4-ethylphenoxy)-2-hydroxypropyl]piperidin-4-yl]-N-methylacetamide (CID 111565278) is 2-[1-[3-(4-ethylphenoxy)-2-hydroxypropyl]piperidin-4-yl]-N-methylacetamide.
What is the SMILES notation for 2-[1-[3-(4-ethylphenoxy)-2-hydroxypropyl]piperidin-4-yl]-N-methylacetamide?
The canonical SMILES for 2-[1-[3-(4-ethylphenoxy)-2-hydroxypropyl]piperidin-4-yl]-N-methylacetamide is CCc1ccc(OCC(O)CN2CCC(CC(=O)NC)CC2)cc1.
What is the InChIKey of 2-[1-[3-(4-ethylphenoxy)-2-hydroxypropyl]piperidin-4-yl]-N-methylacetamide?
The InChIKey is JPBQBMRKQQKFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-3-15-4-6-18(7-5-15)24-14-17(22)13-21-10-8-16(9-11-21)12-19(23)20-2/h4-7,16-17,22H,3,8-14H2,1-2H3,(H,20,23).
What are the key properties of 2-[1-[3-(4-ethylphenoxy)-2-hydroxypropyl]piperidin-4-yl]-N-methylacetamide?
2-[1-[3-(4-ethylphenoxy)-2-hydroxypropyl]piperidin-4-yl]-N-methylacetamide has a molecular weight of 334.46 g/mol, XLogP of 1.84, 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-4-yl]-N-methylacetamide is sourced from PubChem (CID 111565278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).