1-[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl]piperidine-4-carboxamide

C20H22ClN3O3 — CID 2399286

IUPAC1-[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)CC1
InChIInChI=1S/C20H22ClN3O3/c21-15-6-7-18(27-16-4-2-1-3-5-16)17(12-15)23-19(25)13-24-10-8-14(9-11-24)20(22)26/h1-7,12,14H,8-11,13H2,(H2,22,26)(H,23,25)
InChIKeyCIGVYZKNBRCFAC-UHFFFAOYSA-N
MW387.87 g/mol
LogP3.27
Rot. Bonds6

About 1-[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl]piperidine-4-carboxamide

1-[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 2399286) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is 1-[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
PubChem CID2399286
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC Name1-[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)CC1
InChIInChI=1S/C20H22ClN3O3/c21-15-6-7-18(27-16-4-2-1-3-5-16)17(12-15)23-19(25)13-24-10-8-14(9-11-24)20(22)26/h1-7,12,14H,8-11,13H2,(H2,22,26)(H,23,25)
InChIKeyCIGVYZKNBRCFAC-UHFFFAOYSA-N
XLogP3.27
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl]piperidine-4-carboxamide 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

(3R)-1-[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9304566
N-(5-chloro-2-phenoxyphenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 16554809
1-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 17486082
2-(4-aza-1-azoniabicyclo[2.2.2]octan-1-yl)-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 4798441
N-(5-chloro-2-methoxyphenyl)-1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16910110
2-[4-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 29162746
1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8531166
N-(5-chloro-2-phenoxyphenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43924914
N-(5-chloro-2-phenoxyphenyl)-3-phenylpropanamide
CID 2212566
1-[(5-chloro-2-phenoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 90459455
N-(5-chloro-2-phenoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 3512680
N-(5-chloro-2-phenoxyphenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38115243

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl]piperidine-4-carboxamide (CID 2399286) is 1-[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl]piperidine-4-carboxamide is NC(=O)C1CCN(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)CC1.
What is the InChIKey of 1-[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is CIGVYZKNBRCFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c21-15-6-7-18(27-16-4-2-1-3-5-16)17(12-15)23-19(25)13-24-10-8-14(9-11-24)20(22)26/h1-7,12,14H,8-11,13H2,(H2,22,26)(H,23,25).
What are the key properties of 1-[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl]piperidine-4-carboxamide?
1-[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 387.87 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 2399286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).