N-[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-yl]-N-methylacetamide

C18H28N2O3 — CID 110910639

IUPACN-[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-yl]-N-methylacetamide
SMILESCC(=O)N(C)C1CCN(CC(O)COc2ccccc2C)CC1
InChIInChI=1S/C18H28N2O3/c1-14-6-4-5-7-18(14)23-13-17(22)12-20-10-8-16(9-11-20)19(3)15(2)21/h4-7,16-17,22H,8-13H2,1-3H3
InChIKeyGNTMEIJLWFYNAB-UHFFFAOYSA-N
MW320.43 g/mol
LogP1.68
Rot. Bonds6

About N-[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-yl]-N-methylacetamide

N-[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-yl]-N-methylacetamide (PubChem CID 110910639) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-yl]-N-methylacetamide
PubChem CID110910639
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-yl]-N-methylacetamide
SMILESCC(=O)N(C)C1CCN(CC(O)COc2ccccc2C)CC1
InChIInChI=1S/C18H28N2O3/c1-14-6-4-5-7-18(14)23-13-17(22)12-20-10-8-16(9-11-20)19(3)15(2)21/h4-7,16-17,22H,8-13H2,1-3H3
InChIKeyGNTMEIJLWFYNAB-UHFFFAOYSA-N
XLogP1.68
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]piperidin-4-yl]-N-methylacetamide
CID 110910642
1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-ol
CID 110877353
(2S)-1-(2-methylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 769296
N-[1-[3-(4-chlorophenoxy)-2-hydroxypropyl]piperidin-4-yl]-N-methylacetamide
CID 49231615
(2R)-1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol
CID 1149958
(3R)-1-[2-hydroxy-3-(2-methylphenoxy)propyl]pyrrolidin-3-ol
CID 111101940
1-[4-(ethoxymethyl)piperidin-1-yl]-3-(2-methylphenoxy)propan-2-ol
CID 111122489
1-(2-methylphenoxy)-3-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol
CID 111439811
ethyl (3R)-1-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]piperidine-3-carboxylate
CID 7150367
N-[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-3-yl]-2-methylpropanamide
CID 110921573
(3R)-1-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-N-phenylpiperidine-3-carboxamide
CID 100841093
1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-N,N-dimethylpiperidine-4-carboxamide
CID 110882096

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-yl]-N-methylacetamide?
The IUPAC name of N-[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-yl]-N-methylacetamide (CID 110910639) is N-[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-yl]-N-methylacetamide.
What is the SMILES notation for N-[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-yl]-N-methylacetamide?
The canonical SMILES for N-[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-yl]-N-methylacetamide is CC(=O)N(C)C1CCN(CC(O)COc2ccccc2C)CC1.
What is the InChIKey of N-[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-yl]-N-methylacetamide?
The InChIKey is GNTMEIJLWFYNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-14-6-4-5-7-18(14)23-13-17(22)12-20-10-8-16(9-11-20)19(3)15(2)21/h4-7,16-17,22H,8-13H2,1-3H3.
What are the key properties of N-[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-yl]-N-methylacetamide?
N-[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-yl]-N-methylacetamide has a molecular weight of 320.43 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-yl]-N-methylacetamide is sourced from PubChem (CID 110910639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).