N-[2-(4-hydroxypiperidin-1-yl)phenyl]-3,4,4-trimethylpentanamide

C19H30N2O2 — CID 111109805

IUPACN-[2-(4-hydroxypiperidin-1-yl)phenyl]-3,4,4-trimethylpentanamide
SMILESCC(CC(=O)Nc1ccccc1N1CCC(O)CC1)C(C)(C)C
InChIInChI=1S/C19H30N2O2/c1-14(19(2,3)4)13-18(23)20-16-7-5-6-8-17(16)21-11-9-15(22)10-12-21/h5-8,14-15,22H,9-13H2,1-4H3,(H,20,23)
InChIKeyRELJHOMSXFTQEC-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.66
Rot. Bonds4

About N-[2-(4-hydroxypiperidin-1-yl)phenyl]-3,4,4-trimethylpentanamide

N-[2-(4-hydroxypiperidin-1-yl)phenyl]-3,4,4-trimethylpentanamide (PubChem CID 111109805) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-[2-(4-hydroxypiperidin-1-yl)phenyl]-3,4,4-trimethylpentanamide.

Molecular Properties

Compound NameN-[2-(4-hydroxypiperidin-1-yl)phenyl]-3,4,4-trimethylpentanamide
PubChem CID111109805
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN-[2-(4-hydroxypiperidin-1-yl)phenyl]-3,4,4-trimethylpentanamide
SMILESCC(CC(=O)Nc1ccccc1N1CCC(O)CC1)C(C)(C)C
InChIInChI=1S/C19H30N2O2/c1-14(19(2,3)4)13-18(23)20-16-7-5-6-8-17(16)21-11-9-15(22)10-12-21/h5-8,14-15,22H,9-13H2,1-4H3,(H,20,23)
InChIKeyRELJHOMSXFTQEC-UHFFFAOYSA-N
XLogP3.66
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-hydroxypiperidin-1-yl)phenyl]-3,4-dimethylpentanamide
CID 110929437
N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-3,4,4-trimethylpentanamide
CID 86901306
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]-4-(methylamino)butanamide;dihydrochloride
CID 119859796
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-3-(4-methylpentan-2-yloxy)propanamide
CID 71922108
N-[(1S)-1-cyclopropylethyl]-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide
CID 94631561
1-[2-(3-aminobutanoylamino)phenyl]piperidine-4-carboxamide;dihydrochloride
CID 119870604
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-pentoxyacetamide
CID 110909879
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 111537095
2-[2-(4-hydroxypiperidin-1-yl)anilino]-N-naphthalen-1-ylacetamide
CID 51121729
N-(2,5-dimethylphenyl)-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide
CID 47064281

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxypiperidin-1-yl)phenyl]-3,4,4-trimethylpentanamide?
The IUPAC name of N-[2-(4-hydroxypiperidin-1-yl)phenyl]-3,4,4-trimethylpentanamide (CID 111109805) is N-[2-(4-hydroxypiperidin-1-yl)phenyl]-3,4,4-trimethylpentanamide.
What is the SMILES notation for N-[2-(4-hydroxypiperidin-1-yl)phenyl]-3,4,4-trimethylpentanamide?
The canonical SMILES for N-[2-(4-hydroxypiperidin-1-yl)phenyl]-3,4,4-trimethylpentanamide is CC(CC(=O)Nc1ccccc1N1CCC(O)CC1)C(C)(C)C.
What is the InChIKey of N-[2-(4-hydroxypiperidin-1-yl)phenyl]-3,4,4-trimethylpentanamide?
The InChIKey is RELJHOMSXFTQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-14(19(2,3)4)13-18(23)20-16-7-5-6-8-17(16)21-11-9-15(22)10-12-21/h5-8,14-15,22H,9-13H2,1-4H3,(H,20,23).
What are the key properties of N-[2-(4-hydroxypiperidin-1-yl)phenyl]-3,4,4-trimethylpentanamide?
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-3,4,4-trimethylpentanamide has a molecular weight of 318.46 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxypiperidin-1-yl)phenyl]-3,4,4-trimethylpentanamide is sourced from PubChem (CID 111109805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).