N-(2,5-dimethylphenyl)-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide

C21H27N3O2 — CID 47064281

IUPACN-(2,5-dimethylphenyl)-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide
SMILESCc1ccc(C)c(NC(=O)CNc2ccccc2N2CCC(O)CC2)c1
InChIInChI=1S/C21H27N3O2/c1-15-7-8-16(2)19(13-15)23-21(26)14-22-18-5-3-4-6-20(18)24-11-9-17(25)10-12-24/h3-8,13,17,22,25H,9-12,14H2,1-2H3,(H,23,26)
InChIKeyKYCQQFNUYWHFIC-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.32
Rot. Bonds5

About N-(2,5-dimethylphenyl)-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide

N-(2,5-dimethylphenyl)-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide (PubChem CID 47064281) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide
PubChem CID47064281
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-(2,5-dimethylphenyl)-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide
SMILESCc1ccc(C)c(NC(=O)CNc2ccccc2N2CCC(O)CC2)c1
InChIInChI=1S/C21H27N3O2/c1-15-7-8-16(2)19(13-15)23-21(26)14-22-18-5-3-4-6-20(18)24-11-9-17(25)10-12-24/h3-8,13,17,22,25H,9-12,14H2,1-2H3,(H,23,26)
InChIKeyKYCQQFNUYWHFIC-UHFFFAOYSA-N
XLogP3.32
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4-methylphenyl)-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide
CID 52704908
2-[2-(4-hydroxypiperidin-1-yl)anilino]-N-naphthalen-1-ylacetamide
CID 51121729
N-[(1S)-1-cyclopropylethyl]-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide
CID 94631561
N-(5-chloro-2,4-dimethoxyphenyl)-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide
CID 55917555
N-(5-chloro-2-methylphenyl)-2-(2-morpholin-4-ylanilino)acetamide
CID 109008560
N-(3-chloro-4-methoxyphenyl)-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide
CID 60539290
1-[2-(2-methylprop-2-enylamino)phenyl]piperidin-4-ol
CID 75416206
2-(2-piperidin-1-ylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 9100126
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
N-cyclopropyl-2-[[2-(2,5-dimethylanilino)acetyl]amino]benzamide
CID 17498144
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-3,4-dimethylpentanamide
CID 110929437

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide (CID 47064281) is N-(2,5-dimethylphenyl)-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide is Cc1ccc(C)c(NC(=O)CNc2ccccc2N2CCC(O)CC2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide?
The InChIKey is KYCQQFNUYWHFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-15-7-8-16(2)19(13-15)23-21(26)14-22-18-5-3-4-6-20(18)24-11-9-17(25)10-12-24/h3-8,13,17,22,25H,9-12,14H2,1-2H3,(H,23,26).
What are the key properties of N-(2,5-dimethylphenyl)-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide?
N-(2,5-dimethylphenyl)-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide has a molecular weight of 353.47 g/mol, XLogP of 3.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide is sourced from PubChem (CID 47064281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).