1-(1,3-benzoxazol-2-yl)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxamide

C22H23ClN4O3 — CID 24584538

IUPAC1-(1,3-benzoxazol-2-yl)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)CNC(=O)C1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C22H23ClN4O3/c1-14-16(23)5-4-7-17(14)25-20(28)13-24-21(29)15-9-11-27(12-10-15)22-26-18-6-2-3-8-19(18)30-22/h2-8,15H,9-13H2,1H3,(H,24,29)(H,25,28)
InChIKeyZONWIQYHEFRJAU-UHFFFAOYSA-N
MW426.90 g/mol
LogP3.76
Rot. Bonds5

About 1-(1,3-benzoxazol-2-yl)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxamide

1-(1,3-benzoxazol-2-yl)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 24584538) has the molecular formula C22H23ClN4O3 and a molecular weight of 426.90 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-yl)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
PubChem CID24584538
Molecular FormulaC22H23ClN4O3
Molecular Weight426.90 g/mol
Exact Mass426.15
IUPAC Name1-(1,3-benzoxazol-2-yl)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)CNC(=O)C1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C22H23ClN4O3/c1-14-16(23)5-4-7-17(14)25-20(28)13-24-21(29)15-9-11-27(12-10-15)22-26-18-6-2-3-8-19(18)30-22/h2-8,15H,9-13H2,1H3,(H,24,29)(H,25,28)
InChIKeyZONWIQYHEFRJAU-UHFFFAOYSA-N
XLogP3.76
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(1,3-benzoxazol-2-yl)-N-[2-(3-chloro-2-methylanilino)-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

1-(1,3-benzoxazol-2-yl)-N-[2-(ethylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 18145860
methyl 3-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]-2-methylbenzoate
CID 24684211
N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-N'-(2,3-dimethylphenyl)oxamide
CID 121107989
1-(1,3-benzoxazol-2-yl)-N-butylpiperidine-4-carboxamide
CID 15993683
1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide
CID 26025752
methyl 2-[[1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidine-4-carbonyl]amino]acetate
CID 26324181
1-(1,3-benzoxazol-2-yl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 17421563
1-(1,3-benzoxazol-2-yl)-N-(2-iodophenyl)piperidine-4-carboxamide
CID 16590448
1-(4-chlorobenzoyl)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 17498503
1-(1,3-benzoxazol-2-yl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 17423416
1-(1,3-benzoxazol-2-yl)-N-[(1R)-1-(2-chlorophenyl)ethyl]piperidine-4-carboxamide
CID 26002595
1-(1,3-benzoxazol-2-yl)-N'-[2-(4-chlorophenyl)acetyl]piperidine-4-carbohydrazide
CID 46698256

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxamide (CID 24584538) is 1-(1,3-benzoxazol-2-yl)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(1,3-benzoxazol-2-yl)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxamide is Cc1c(Cl)cccc1NC(=O)CNC(=O)C1CCN(c2nc3ccccc3o2)CC1.
What is the InChIKey of 1-(1,3-benzoxazol-2-yl)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is ZONWIQYHEFRJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O3/c1-14-16(23)5-4-7-17(14)25-20(28)13-24-21(29)15-9-11-27(12-10-15)22-26-18-6-2-3-8-19(18)30-22/h2-8,15H,9-13H2,1H3,(H,24,29)(H,25,28).
What are the key properties of 1-(1,3-benzoxazol-2-yl)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxamide?
1-(1,3-benzoxazol-2-yl)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 426.90 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-2-yl)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 24584538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).