N-(3-chloro-4-methoxyphenyl)-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide

C20H24ClN3O3 — CID 60539290

IUPACN-(3-chloro-4-methoxyphenyl)-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide
SMILESCOc1ccc(NC(=O)CNc2ccccc2N2CCC(O)CC2)cc1Cl
InChIInChI=1S/C20H24ClN3O3/c1-27-19-7-6-14(12-16(19)21)23-20(26)13-22-17-4-2-3-5-18(17)24-10-8-15(25)9-11-24/h2-7,12,15,22,25H,8-11,13H2,1H3,(H,23,26)
InChIKeyOXNQWXCLLJCPTB-UHFFFAOYSA-N
MW389.88 g/mol
LogP3.36
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide

N-(3-chloro-4-methoxyphenyl)-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide (PubChem CID 60539290) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide
PubChem CID60539290
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide
SMILESCOc1ccc(NC(=O)CNc2ccccc2N2CCC(O)CC2)cc1Cl
InChIInChI=1S/C20H24ClN3O3/c1-27-19-7-6-14(12-16(19)21)23-20(26)13-22-17-4-2-3-5-18(17)24-10-8-15(25)9-11-24/h2-7,12,15,22,25H,8-11,13H2,1H3,(H,23,26)
InChIKeyOXNQWXCLLJCPTB-UHFFFAOYSA-N
XLogP3.36
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide
CID 55917555
N-(2-chloro-4-methylphenyl)-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide
CID 52704908
N-(3-chloro-4-methylphenyl)-2-(2-methoxyanilino)acetamide
CID 9080460
N-(2,5-dimethylphenyl)-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide
CID 47064281
N-(3-chloro-4-methoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide
CID 54816552
N-(3,4-dichlorophenyl)-2-(2-methoxyanilino)acetamide
CID 9080426
N-(3-chloro-4-methoxyphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78963334
N-(3-chloro-4-methoxyphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 2264838
N-(3-chloro-4-fluorophenyl)-2-(2-piperidin-1-ylanilino)acetamide
CID 9100097
2-[2-(4-hydroxypiperidin-1-yl)anilino]-N-naphthalen-1-ylacetamide
CID 51121729
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109008835
2-(4-chloro-2,5-dimethoxyanilino)-N-(3,4-dichlorophenyl)acetamide
CID 9106808

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide (CID 60539290) is N-(3-chloro-4-methoxyphenyl)-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide is COc1ccc(NC(=O)CNc2ccccc2N2CCC(O)CC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide?
The InChIKey is OXNQWXCLLJCPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3/c1-27-19-7-6-14(12-16(19)21)23-20(26)13-22-17-4-2-3-5-18(17)24-10-8-15(25)9-11-24/h2-7,12,15,22,25H,8-11,13H2,1H3,(H,23,26).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide?
N-(3-chloro-4-methoxyphenyl)-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide has a molecular weight of 389.88 g/mol, XLogP of 3.36, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide is sourced from PubChem (CID 60539290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).