3-[1-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]piperidin-3-yl]propanamide

C19H30N2O3 — CID 110924117

IUPAC3-[1-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]piperidin-3-yl]propanamide
SMILESCc1ccc(C)c(OCC(O)CN2CCCC(CCC(N)=O)C2)c1
InChIInChI=1S/C19H30N2O3/c1-14-5-6-15(2)18(10-14)24-13-17(22)12-21-9-3-4-16(11-21)7-8-19(20)23/h5-6,10,16-17,22H,3-4,7-9,11-13H2,1-2H3,(H2,20,23)
InChIKeyFFUZNUITYXXRTC-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.02
Rot. Bonds8

About 3-[1-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]piperidin-3-yl]propanamide

3-[1-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]piperidin-3-yl]propanamide (PubChem CID 110924117) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 3-[1-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound Name3-[1-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]piperidin-3-yl]propanamide
PubChem CID110924117
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name3-[1-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]piperidin-3-yl]propanamide
SMILESCc1ccc(C)c(OCC(O)CN2CCCC(CCC(N)=O)C2)c1
InChIInChI=1S/C19H30N2O3/c1-14-5-6-15(2)18(10-14)24-13-17(22)12-21-9-3-4-16(11-21)7-8-19(20)23/h5-6,10,16-17,22H,3-4,7-9,11-13H2,1-2H3,(H2,20,23)
InChIKeyFFUZNUITYXXRTC-UHFFFAOYSA-N
XLogP2.02
TPSA75.79 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 ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azepan-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 4320215
(3S)-1-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]pyrrolidin-3-ol
CID 111123240
(2S)-1-(2,5-dimethylphenoxy)-3-[4-[(2S)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 51629005
1-[4-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-1,4-diazepan-1-yl]propan-1-one
CID 110899794
2-[4-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 46634139
1-[3-(2-chloro-5-methylphenoxy)-2-hydroxypropyl]-N-methylpiperidine-3-carboxamide
CID 75521225
ethyl 1-[2-hydroxy-3-(2,3,5-trimethylphenoxy)propyl]piperidine-3-carboxylate
CID 16807234
1-[1-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]piperidin-4-yl]pyrrolidin-2-one
CID 111102174
2-[1-[2-(2,5-dimethylphenoxy)ethyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728149
3-[(3S)-1-[(2R)-2-methoxy-2-phenylethyl]piperidin-3-yl]propanamide
CID 124843943
2-[1-[3-(4-ethylphenoxy)-2-hydroxypropyl]piperidin-3-yl]acetamide
CID 111565370
ethyl (3R)-1-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]piperidine-3-carboxylate
CID 7150367

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]piperidin-3-yl]propanamide?
The IUPAC name of 3-[1-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]piperidin-3-yl]propanamide (CID 110924117) is 3-[1-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]piperidin-3-yl]propanamide.
What is the SMILES notation for 3-[1-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]piperidin-3-yl]propanamide?
The canonical SMILES for 3-[1-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]piperidin-3-yl]propanamide is Cc1ccc(C)c(OCC(O)CN2CCCC(CCC(N)=O)C2)c1.
What is the InChIKey of 3-[1-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]piperidin-3-yl]propanamide?
The InChIKey is FFUZNUITYXXRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-14-5-6-15(2)18(10-14)24-13-17(22)12-21-9-3-4-16(11-21)7-8-19(20)23/h5-6,10,16-17,22H,3-4,7-9,11-13H2,1-2H3,(H2,20,23).
What are the key properties of 3-[1-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]piperidin-3-yl]propanamide?
3-[1-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]piperidin-3-yl]propanamide has a molecular weight of 334.46 g/mol, XLogP of 2.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 110924117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).