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

C19H30N2O3 — CID 110910642

IUPACN-[1-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]piperidin-4-yl]-N-methylacetamide
SMILESCC(=O)N(C)C1CCN(CC(O)COc2ccc(C)cc2C)CC1
InChIInChI=1S/C19H30N2O3/c1-14-5-6-19(15(2)11-14)24-13-18(23)12-21-9-7-17(8-10-21)20(4)16(3)22/h5-6,11,17-18,23H,7-10,12-13H2,1-4H3
InChIKeyZGJZHKZBBFXQJF-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.99
Rot. Bonds6

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

N-[1-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]piperidin-4-yl]-N-methylacetamide (PubChem CID 110910642) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-[1-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]piperidin-4-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]piperidin-4-yl]-N-methylacetamide
PubChem CID110910642
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC NameN-[1-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]piperidin-4-yl]-N-methylacetamide
SMILESCC(=O)N(C)C1CCN(CC(O)COc2ccc(C)cc2C)CC1
InChIInChI=1S/C19H30N2O3/c1-14-5-6-19(15(2)11-14)24-13-18(23)12-21-9-7-17(8-10-21)20(4)16(3)22/h5-6,11,17-18,23H,7-10,12-13H2,1-4H3
InChIKeyZGJZHKZBBFXQJF-UHFFFAOYSA-N
XLogP1.99
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-yl]-N-methylacetamide
CID 110910639
cyclopropyl-[4-[(2S)-3-(2,4-dimethylphenoxy)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 52533613
1-(2,4-dimethylphenoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride
CID 2770287
1-(2,4-dimethylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 2770308
N-[1-[3-(4-chlorophenoxy)-2-hydroxypropyl]piperidin-4-yl]-N-methylacetamide
CID 49231615
(2R)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-(2,4-dimethylphenoxy)propan-2-ol
CID 30629645
1-(2,4-dimethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol dichloride
CID 21237602
(2S)-1-(2,5-dimethylphenoxy)-3-[4-[(2S)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 51629005
(2R)-1-(4-tert-butyl-2-methylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 2086476
(2S)-1-(2,4-dimethylphenoxy)-3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]propan-2-ol
CID 11863217
1-(2,4-dimethylphenoxy)-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol
CID 2770301
(2R)-1-(2,4-dimethylphenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 1325318

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]piperidin-4-yl]-N-methylacetamide?
The IUPAC name of N-[1-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]piperidin-4-yl]-N-methylacetamide (CID 110910642) is N-[1-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]piperidin-4-yl]-N-methylacetamide.
What is the SMILES notation for N-[1-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]piperidin-4-yl]-N-methylacetamide?
The canonical SMILES for N-[1-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]piperidin-4-yl]-N-methylacetamide is CC(=O)N(C)C1CCN(CC(O)COc2ccc(C)cc2C)CC1.
What is the InChIKey of N-[1-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]piperidin-4-yl]-N-methylacetamide?
The InChIKey is ZGJZHKZBBFXQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-14-5-6-19(15(2)11-14)24-13-18(23)12-21-9-7-17(8-10-21)20(4)16(3)22/h5-6,11,17-18,23H,7-10,12-13H2,1-4H3.
What are the key properties of N-[1-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]piperidin-4-yl]-N-methylacetamide?
N-[1-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]piperidin-4-yl]-N-methylacetamide has a molecular weight of 334.46 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]piperidin-4-yl]-N-methylacetamide is sourced from PubChem (CID 110910642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).