N-[2-(4-hydroxypiperidin-1-yl)phenyl]-3-(4-methylpentan-2-yloxy)propanamide

C20H32N2O3 — CID 71922108

IUPACN-[2-(4-hydroxypiperidin-1-yl)phenyl]-3-(4-methylpentan-2-yloxy)propanamide
SMILESCC(C)CC(C)OCCC(=O)Nc1ccccc1N1CCC(O)CC1
InChIInChI=1S/C20H32N2O3/c1-15(2)14-16(3)25-13-10-20(24)21-18-6-4-5-7-19(18)22-11-8-17(23)9-12-22/h4-7,15-17,23H,8-14H2,1-3H3,(H,21,24)
InChIKeyADGYGDQMMQUYQB-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.43
Rot. Bonds8

About N-[2-(4-hydroxypiperidin-1-yl)phenyl]-3-(4-methylpentan-2-yloxy)propanamide

N-[2-(4-hydroxypiperidin-1-yl)phenyl]-3-(4-methylpentan-2-yloxy)propanamide (PubChem CID 71922108) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[2-(4-hydroxypiperidin-1-yl)phenyl]-3-(4-methylpentan-2-yloxy)propanamide.

Molecular Properties

Compound NameN-[2-(4-hydroxypiperidin-1-yl)phenyl]-3-(4-methylpentan-2-yloxy)propanamide
PubChem CID71922108
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC NameN-[2-(4-hydroxypiperidin-1-yl)phenyl]-3-(4-methylpentan-2-yloxy)propanamide
SMILESCC(C)CC(C)OCCC(=O)Nc1ccccc1N1CCC(O)CC1
InChIInChI=1S/C20H32N2O3/c1-15(2)14-16(3)25-13-10-20(24)21-18-6-4-5-7-19(18)22-11-8-17(23)9-12-22/h4-7,15-17,23H,8-14H2,1-3H3,(H,21,24)
InChIKeyADGYGDQMMQUYQB-UHFFFAOYSA-N
XLogP3.43
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-hydroxypiperidin-1-yl)phenyl]-3,4-dimethylpentanamide
CID 110929437
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-3,4,4-trimethylpentanamide
CID 111109805
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-4-(methylamino)butanamide;dihydrochloride
CID 119859796
3-(2-aminophenyl)-N-[2-(4-hydroxypiperidin-1-yl)phenyl]propanamide;dihydrochloride
CID 120612614
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-pentoxyacetamide
CID 110909879
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 119859815
3-amino-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-3-phenylpropanamide;dihydrochloride
CID 119953315
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 111537095
N-[(1S)-1-cyclopropylethyl]-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide
CID 94631561
2-[2-(4-hydroxypiperidin-1-yl)anilino]-N-naphthalen-1-ylacetamide
CID 51121729
1-(4-hydroxypiperidin-1-yl)-3-(4-methylpentan-2-yloxy)propan-1-one
CID 71856930
5-amino-4-methyl-N-(2-piperidin-1-ylphenyl)pentanamide
CID 82014227

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxypiperidin-1-yl)phenyl]-3-(4-methylpentan-2-yloxy)propanamide?
The IUPAC name of N-[2-(4-hydroxypiperidin-1-yl)phenyl]-3-(4-methylpentan-2-yloxy)propanamide (CID 71922108) is N-[2-(4-hydroxypiperidin-1-yl)phenyl]-3-(4-methylpentan-2-yloxy)propanamide.
What is the SMILES notation for N-[2-(4-hydroxypiperidin-1-yl)phenyl]-3-(4-methylpentan-2-yloxy)propanamide?
The canonical SMILES for N-[2-(4-hydroxypiperidin-1-yl)phenyl]-3-(4-methylpentan-2-yloxy)propanamide is CC(C)CC(C)OCCC(=O)Nc1ccccc1N1CCC(O)CC1.
What is the InChIKey of N-[2-(4-hydroxypiperidin-1-yl)phenyl]-3-(4-methylpentan-2-yloxy)propanamide?
The InChIKey is ADGYGDQMMQUYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-15(2)14-16(3)25-13-10-20(24)21-18-6-4-5-7-19(18)22-11-8-17(23)9-12-22/h4-7,15-17,23H,8-14H2,1-3H3,(H,21,24).
What are the key properties of N-[2-(4-hydroxypiperidin-1-yl)phenyl]-3-(4-methylpentan-2-yloxy)propanamide?
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-3-(4-methylpentan-2-yloxy)propanamide has a molecular weight of 348.49 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxypiperidin-1-yl)phenyl]-3-(4-methylpentan-2-yloxy)propanamide is sourced from PubChem (CID 71922108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).