2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide

C20H19ClN4O4 — CID 10201898

IUPAC2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
SMILESO=C(Nc1ccc2[nH]c(=O)[nH]c2c1)C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H19ClN4O4/c21-12-1-4-14(5-2-12)29-15-7-9-25(10-8-15)19(27)18(26)22-13-3-6-16-17(11-13)24-20(28)23-16/h1-6,11,15H,7-10H2,(H,22,26)(H2,23,24,28)
InChIKeyJYJRDXWLEFJOEY-UHFFFAOYSA-N
MW414.85 g/mol
LogP2.52
Rot. Bonds3

About 2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide

2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide (PubChem CID 10201898) has the molecular formula C20H19ClN4O4 and a molecular weight of 414.85 g/mol. Its IUPAC name is 2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
PubChem CID10201898
Molecular FormulaC20H19ClN4O4
Molecular Weight414.85 g/mol
Exact Mass414.11
IUPAC Name2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
SMILESO=C(Nc1ccc2[nH]c(=O)[nH]c2c1)C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H19ClN4O4/c21-12-1-4-14(5-2-12)29-15-7-9-25(10-8-15)19(27)18(26)22-13-3-6-16-17(11-13)24-20(28)23-16/h1-6,11,15H,7-10H2,(H,22,26)(H2,23,24,28)
InChIKeyJYJRDXWLEFJOEY-UHFFFAOYSA-N
XLogP2.52
TPSA107.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.85
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxoacetic acid
CID 69100024
N-(2,3-dihydro-1H-inden-5-yl)-2-oxo-2-(4-phenoxypiperidin-1-yl)acetamide
CID 47695218
N-[4-(methanesulfonamido)phenyl]-2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoacetamide
CID 76852356
methyl 2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]acetate
CID 115142201
N-(4-chlorophenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 28507441
(4-chloro-5-methyl-1H-pyrazol-3-yl)-[4-(4-chlorophenoxy)piperidin-1-yl]methanone
CID 67168484
[4-(4-chlorophenoxy)piperidin-1-yl]-(1H-indazol-5-yl)methanone
CID 117073747
N-(4-acetamidobenzoyl)-4-(4-chlorophenoxy)piperidine-1-carboxamide
CID 68972565
2-(3-chloro-4-fluorophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 112778728
N-(4-chlorophenyl)-4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carboxamide
CID 90617413
N-[5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-2-methylphenyl]acetamide
CID 166281479
[4-(4-chlorophenoxy)piperidin-1-yl]-(4,6-dihydro-1H-furo[3,4-d]pyrazol-3-yl)methanone
CID 166334274

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The IUPAC name of 2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide (CID 10201898) is 2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide.
What is the SMILES notation for 2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The canonical SMILES for 2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide is O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The InChIKey is JYJRDXWLEFJOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O4/c21-12-1-4-14(5-2-12)29-15-7-9-25(10-8-15)19(27)18(26)22-13-3-6-16-17(11-13)24-20(28)23-16/h1-6,11,15H,7-10H2,(H,22,26)(H2,23,24,28).
What are the key properties of 2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide has a molecular weight of 414.85 g/mol, XLogP of 2.52, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide is sourced from PubChem (CID 10201898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).