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

C19H30N2O3 — CID 110921573

IUPACN-[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-3-yl]-2-methylpropanamide
SMILESCc1ccccc1OCC(O)CN1CCCC(NC(=O)C(C)C)C1
InChIInChI=1S/C19H30N2O3/c1-14(2)19(23)20-16-8-6-10-21(11-16)12-17(22)13-24-18-9-5-4-7-15(18)3/h4-5,7,9,14,16-17,22H,6,8,10-13H2,1-3H3,(H,20,23)
InChIKeyMARXDFWUUDBOFG-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.97
Rot. Bonds7

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

N-[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-3-yl]-2-methylpropanamide (PubChem CID 110921573) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-3-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-3-yl]-2-methylpropanamide
PubChem CID110921573
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC NameN-[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-3-yl]-2-methylpropanamide
SMILESCc1ccccc1OCC(O)CN1CCCC(NC(=O)C(C)C)C1
InChIInChI=1S/C19H30N2O3/c1-14(2)19(23)20-16-8-6-10-21(11-16)12-17(22)13-24-18-9-5-4-7-15(18)3/h4-5,7,9,14,16-17,22H,6,8,10-13H2,1-3H3,(H,20,23)
InChIKeyMARXDFWUUDBOFG-UHFFFAOYSA-N
XLogP1.97
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylphenoxy)-3-[3-(2,2,2-trifluoroethylamino)piperidin-1-yl]propan-2-ol
CID 146142495
ethyl (3R)-1-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]piperidine-3-carboxylate
CID 7150367
(3R)-1-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-N-phenylpiperidine-3-carboxamide
CID 100841093
(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-(2-methylphenoxy)-3-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol
CID 111439811
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-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]-2-methylpropanamide
CID 110921581
N-[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-yl]-N-methylacetamide
CID 110910639
(3R)-1-[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]piperidine-3-carboxamide
CID 25351484
ethyl (3R)-1-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]piperidine-3-carboxylate
CID 51680135

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-3-yl]-2-methylpropanamide?
The IUPAC name of N-[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-3-yl]-2-methylpropanamide (CID 110921573) is N-[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-3-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-3-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-3-yl]-2-methylpropanamide is Cc1ccccc1OCC(O)CN1CCCC(NC(=O)C(C)C)C1.
What is the InChIKey of N-[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-3-yl]-2-methylpropanamide?
The InChIKey is MARXDFWUUDBOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-14(2)19(23)20-16-8-6-10-21(11-16)12-17(22)13-24-18-9-5-4-7-15(18)3/h4-5,7,9,14,16-17,22H,6,8,10-13H2,1-3H3,(H,20,23).
What are the key properties of N-[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-3-yl]-2-methylpropanamide?
N-[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-3-yl]-2-methylpropanamide has a molecular weight of 334.46 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 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-3-yl]-2-methylpropanamide is sourced from PubChem (CID 110921573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).