N-(1-acetylpiperidin-4-yl)-2-(5-chloro-2-phenoxyanilino)acetamide

C21H24ClN3O3 — CID 78823282

IUPACN-(1-acetylpiperidin-4-yl)-2-(5-chloro-2-phenoxyanilino)acetamide
SMILESCC(=O)N1CCC(NC(=O)CNc2cc(Cl)ccc2Oc2ccccc2)CC1
InChIInChI=1S/C21H24ClN3O3/c1-15(26)25-11-9-17(10-12-25)24-21(27)14-23-19-13-16(22)7-8-20(19)28-18-5-3-2-4-6-18/h2-8,13,17,23H,9-12,14H2,1H3,(H,24,27)
InChIKeyVPMUZRCJGYXAPO-UHFFFAOYSA-N
MW401.89 g/mol
LogP3.67
Rot. Bonds6

About N-(1-acetylpiperidin-4-yl)-2-(5-chloro-2-phenoxyanilino)acetamide

N-(1-acetylpiperidin-4-yl)-2-(5-chloro-2-phenoxyanilino)acetamide (PubChem CID 78823282) has the molecular formula C21H24ClN3O3 and a molecular weight of 401.89 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-2-(5-chloro-2-phenoxyanilino)acetamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-2-(5-chloro-2-phenoxyanilino)acetamide
PubChem CID78823282
Molecular FormulaC21H24ClN3O3
Molecular Weight401.89 g/mol
Exact Mass401.15
IUPAC NameN-(1-acetylpiperidin-4-yl)-2-(5-chloro-2-phenoxyanilino)acetamide
SMILESCC(=O)N1CCC(NC(=O)CNc2cc(Cl)ccc2Oc2ccccc2)CC1
InChIInChI=1S/C21H24ClN3O3/c1-15(26)25-11-9-17(10-12-25)24-21(27)14-23-19-13-16(22)7-8-20(19)28-18-5-3-2-4-6-18/h2-8,13,17,23H,9-12,14H2,1H3,(H,24,27)
InChIKeyVPMUZRCJGYXAPO-UHFFFAOYSA-N
XLogP3.67
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.89
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1-acetylpiperidin-4-yl)-2-(5-chloro-2-phenoxyanilino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-chloro-2-phenoxyanilino)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethanone
CID 55893105
2-(5-chloro-2-phenoxyanilino)-N-(methylcarbamoyl)acetamide
CID 26526675
N-(1-acetylpiperidin-4-yl)-2-(2,3-dichloroanilino)acetamide
CID 86910665
N-(1-acetylpiperidin-4-yl)-2-(3-chloro-2-methylanilino)acetamide
CID 86910543
N-(1-acetylpiperidin-4-yl)-2-[(2-methoxydibenzofuran-3-yl)amino]acetamide
CID 86910638
2-[5-chloro-2-(3-methylphenoxy)anilino]-N-[[(3S)-1,1-dioxothiolan-3-yl]carbamoyl]acetamide
CID 40986768
N-(cyclopentylcarbamoyl)-2-(2-phenoxyanilino)acetamide
CID 17404437
N-(5-chloro-2-phenoxyphenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 16554809
1-[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 2399286
phenyl 4-[(5-chloro-2-methoxybenzoyl)amino]piperidine-1-carboxylate
CID 108560540
2-(2,4-dichlorophenoxy)-N-(1-propanoylpiperidin-4-yl)acetamide
CID 108553385
2-(4-acetamidophenyl)sulfanyl-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 24676484

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-2-(5-chloro-2-phenoxyanilino)acetamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-2-(5-chloro-2-phenoxyanilino)acetamide (CID 78823282) is N-(1-acetylpiperidin-4-yl)-2-(5-chloro-2-phenoxyanilino)acetamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-2-(5-chloro-2-phenoxyanilino)acetamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-2-(5-chloro-2-phenoxyanilino)acetamide is CC(=O)N1CCC(NC(=O)CNc2cc(Cl)ccc2Oc2ccccc2)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-2-(5-chloro-2-phenoxyanilino)acetamide?
The InChIKey is VPMUZRCJGYXAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O3/c1-15(26)25-11-9-17(10-12-25)24-21(27)14-23-19-13-16(22)7-8-20(19)28-18-5-3-2-4-6-18/h2-8,13,17,23H,9-12,14H2,1H3,(H,24,27).
What are the key properties of N-(1-acetylpiperidin-4-yl)-2-(5-chloro-2-phenoxyanilino)acetamide?
N-(1-acetylpiperidin-4-yl)-2-(5-chloro-2-phenoxyanilino)acetamide has a molecular weight of 401.89 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-2-(5-chloro-2-phenoxyanilino)acetamide is sourced from PubChem (CID 78823282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).