2-[2-(4-hydroxypiperidin-1-yl)anilino]-N-naphthalen-1-ylacetamide

C23H25N3O2 — CID 51121729

IUPAC2-[2-(4-hydroxypiperidin-1-yl)anilino]-N-naphthalen-1-ylacetamide
SMILESO=C(CNc1ccccc1N1CCC(O)CC1)Nc1cccc2ccccc12
InChIInChI=1S/C23H25N3O2/c27-18-12-14-26(15-13-18)22-11-4-3-9-21(22)24-16-23(28)25-20-10-5-7-17-6-1-2-8-19(17)20/h1-11,18,24,27H,12-16H2,(H,25,28)
InChIKeyPRUGMIIXLLSVEA-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.85
Rot. Bonds5

About 2-[2-(4-hydroxypiperidin-1-yl)anilino]-N-naphthalen-1-ylacetamide

2-[2-(4-hydroxypiperidin-1-yl)anilino]-N-naphthalen-1-ylacetamide (PubChem CID 51121729) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-[2-(4-hydroxypiperidin-1-yl)anilino]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[2-(4-hydroxypiperidin-1-yl)anilino]-N-naphthalen-1-ylacetamide
PubChem CID51121729
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name2-[2-(4-hydroxypiperidin-1-yl)anilino]-N-naphthalen-1-ylacetamide
SMILESO=C(CNc1ccccc1N1CCC(O)CC1)Nc1cccc2ccccc12
InChIInChI=1S/C23H25N3O2/c27-18-12-14-26(15-13-18)22-11-4-3-9-21(22)24-16-23(28)25-20-10-5-7-17-6-1-2-8-19(17)20/h1-11,18,24,27H,12-16H2,(H,25,28)
InChIKeyPRUGMIIXLLSVEA-UHFFFAOYSA-N
XLogP3.85
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethylphenyl)-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide
CID 47064281
N-(2-chloro-4-methylphenyl)-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide
CID 52704908
N-(5-chloro-2,4-dimethoxyphenyl)-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide
CID 55917555
N-[(1S)-1-cyclopropylethyl]-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide
CID 94631561
1-[2-(2-methylprop-2-enylamino)phenyl]piperidin-4-ol
CID 75416206
3-hydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 62918134
N-(3-chloro-4-methoxyphenyl)-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide
CID 60539290
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-naphthalen-1-ylacetamide
CID 111332577
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
2-[2-(hydroxymethyl)anilino]-N-naphthalen-1-ylacetamide
CID 176907917
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-3,4-dimethylpentanamide
CID 110929437

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-hydroxypiperidin-1-yl)anilino]-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[2-(4-hydroxypiperidin-1-yl)anilino]-N-naphthalen-1-ylacetamide (CID 51121729) is 2-[2-(4-hydroxypiperidin-1-yl)anilino]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[2-(4-hydroxypiperidin-1-yl)anilino]-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[2-(4-hydroxypiperidin-1-yl)anilino]-N-naphthalen-1-ylacetamide is O=C(CNc1ccccc1N1CCC(O)CC1)Nc1cccc2ccccc12.
What is the InChIKey of 2-[2-(4-hydroxypiperidin-1-yl)anilino]-N-naphthalen-1-ylacetamide?
The InChIKey is PRUGMIIXLLSVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c27-18-12-14-26(15-13-18)22-11-4-3-9-21(22)24-16-23(28)25-20-10-5-7-17-6-1-2-8-19(17)20/h1-11,18,24,27H,12-16H2,(H,25,28).
What are the key properties of 2-[2-(4-hydroxypiperidin-1-yl)anilino]-N-naphthalen-1-ylacetamide?
2-[2-(4-hydroxypiperidin-1-yl)anilino]-N-naphthalen-1-ylacetamide has a molecular weight of 375.47 g/mol, XLogP of 3.85, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-hydroxypiperidin-1-yl)anilino]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 51121729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).