2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide

C21H20FN3O4 — CID 10111406

IUPAC2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
SMILESO=C(Nc1ccc2[nH]c(=O)oc2c1)C(=O)N1CCC(Cc2cccc(F)c2)CC1
InChIInChI=1S/C21H20FN3O4/c22-15-3-1-2-14(11-15)10-13-6-8-25(9-7-13)20(27)19(26)23-16-4-5-17-18(12-16)29-21(28)24-17/h1-5,11-13H,6-10H2,(H,23,26)(H,24,28)
InChIKeyMVWZBDVNONUDHA-UHFFFAOYSA-N
MW397.41 g/mol
LogP2.68
Rot. Bonds3

About 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide

2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide (PubChem CID 10111406) has the molecular formula C21H20FN3O4 and a molecular weight of 397.41 g/mol. Its IUPAC name is 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide.

Molecular Properties

Compound Name2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
PubChem CID10111406
Molecular FormulaC21H20FN3O4
Molecular Weight397.41 g/mol
Exact Mass397.14
IUPAC Name2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
SMILESO=C(Nc1ccc2[nH]c(=O)oc2c1)C(=O)N1CCC(Cc2cccc(F)c2)CC1
InChIInChI=1S/C21H20FN3O4/c22-15-3-1-2-14(11-15)10-13-6-8-25(9-7-13)20(27)19(26)23-16-4-5-17-18(12-16)29-21(28)24-17/h1-5,11-13H,6-10H2,(H,23,26)(H,24,28)
InChIKeyMVWZBDVNONUDHA-UHFFFAOYSA-N
XLogP2.68
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)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-[1-(4-fluorophenyl)piperidin-4-yl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 25256884
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
CID 171708243
4-benzyl-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 3570835
N-(4-anilinophenyl)-2-(4-benzylpiperidin-1-yl)-2-oxoacetamide
CID 108507023
2-(4-benzylpiperidin-1-yl)-2-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 69100489
2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 25258957
2-(cyclopropylmethylamino)-1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]ethanone;hydrochloride
CID 119736883
1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 119736878
2-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-phenylpropanamide
CID 110608124
2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
CID 115175381
N-(2-amino-3H-benzimidazol-5-yl)-2-(4-benzylpiperidin-1-yl)-2-oxoacetamide;2,2,2-trifluoroacetic acid
CID 69100632
N-[4-(benzylamino)phenyl]-2-(4-benzylpiperidin-1-yl)-2-oxoacetamide
CID 69100099

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide?
The IUPAC name of 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide (CID 10111406) is 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide.
What is the SMILES notation for 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide?
The canonical SMILES for 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide is O=C(Nc1ccc2[nH]c(=O)oc2c1)C(=O)N1CCC(Cc2cccc(F)c2)CC1.
What is the InChIKey of 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide?
The InChIKey is MVWZBDVNONUDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O4/c22-15-3-1-2-14(11-15)10-13-6-8-25(9-7-13)20(27)19(26)23-16-4-5-17-18(12-16)29-21(28)24-17/h1-5,11-13H,6-10H2,(H,23,26)(H,24,28).
What are the key properties of 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide?
2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide has a molecular weight of 397.41 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide is sourced from PubChem (CID 10111406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).