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

C21H26ClN3O4 — CID 55917555

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide
SMILESCOc1cc(OC)c(NC(=O)CNc2ccccc2N2CCC(O)CC2)cc1Cl
InChIInChI=1S/C21H26ClN3O4/c1-28-19-12-20(29-2)17(11-15(19)22)24-21(27)13-23-16-5-3-4-6-18(16)25-9-7-14(26)8-10-25/h3-6,11-12,14,23,26H,7-10,13H2,1-2H3,(H,24,27)
InChIKeyIFKJCCJNUDHHNO-UHFFFAOYSA-N
MW419.91 g/mol
LogP3.37
Rot. Bonds7

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

N-(5-chloro-2,4-dimethoxyphenyl)-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide (PubChem CID 55917555) has the molecular formula C21H26ClN3O4 and a molecular weight of 419.91 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide
PubChem CID55917555
Molecular FormulaC21H26ClN3O4
Molecular Weight419.91 g/mol
Exact Mass419.16
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide
SMILESCOc1cc(OC)c(NC(=O)CNc2ccccc2N2CCC(O)CC2)cc1Cl
InChIInChI=1S/C21H26ClN3O4/c1-28-19-12-20(29-2)17(11-15(19)22)24-21(27)13-23-16-5-3-4-6-18(16)25-9-7-14(26)8-10-25/h3-6,11-12,14,23,26H,7-10,13H2,1-2H3,(H,24,27)
InChIKeyIFKJCCJNUDHHNO-UHFFFAOYSA-N
XLogP3.37
TPSA83.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.91
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide
CID 60539290
N-(2-chloro-4-methylphenyl)-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide
CID 52704908
N-(5-chloro-2,4-dimethoxyphenyl)-2-(5-chloro-2-pyrrolidin-1-ylanilino)acetamide
CID 41397519
N-(2,5-dimethylphenyl)-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide
CID 47064281
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
2-[5-chloro-2-[4-(hydroxymethyl)piperidin-1-yl]anilino]-N-(2-methoxyphenyl)acetamide
CID 71848299
N-(2-methoxy-5-nitrophenyl)-2-(2-piperidin-1-ylanilino)acetamide
CID 4818734
2-(5-chloro-2-methoxyanilino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 99144350
2-(4-chloro-2,5-dimethoxyanilino)-N-(2-ethylphenyl)acetamide
CID 109007659
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-cyanoanilino)acetamide
CID 109011243
1-[2-(2-methylprop-2-enylamino)phenyl]piperidin-4-ol
CID 75416206

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide (CID 55917555) is N-(5-chloro-2,4-dimethoxyphenyl)-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide is COc1cc(OC)c(NC(=O)CNc2ccccc2N2CCC(O)CC2)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide?
The InChIKey is IFKJCCJNUDHHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O4/c1-28-19-12-20(29-2)17(11-15(19)22)24-21(27)13-23-16-5-3-4-6-18(16)25-9-7-14(26)8-10-25/h3-6,11-12,14,23,26H,7-10,13H2,1-2H3,(H,24,27).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide?
N-(5-chloro-2,4-dimethoxyphenyl)-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide has a molecular weight of 419.91 g/mol, XLogP of 3.37, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide is sourced from PubChem (CID 55917555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).