3-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one

C21H23N3O3 — CID 51245657

IUPAC3-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCCOc1ccc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1
InChIInChI=1S/C21H23N3O3/c1-2-27-17-9-7-15(8-10-17)20(25)23-13-11-16(12-14-23)24-19-6-4-3-5-18(19)22-21(24)26/h3-10,16H,2,11-14H2,1H3,(H,22,26)
InChIKeyRRGXPTDFGIFITJ-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.21
Rot. Bonds4

About 3-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 51245657) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 3-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID51245657
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name3-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCCOc1ccc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1
InChIInChI=1S/C21H23N3O3/c1-2-27-17-9-7-15(8-10-17)20(25)23-13-11-16(12-14-23)24-19-6-4-3-5-18(19)22-21(24)26/h3-10,16H,2,11-14H2,1H3,(H,22,26)
InChIKeyRRGXPTDFGIFITJ-UHFFFAOYSA-N
XLogP3.21
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(4-fluorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 24735719
3-[1-(4-chlorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 27184460
3-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 55431766
3-[1-(4-methylsulfonylbenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 24735717
3-[1-[1-(4-fluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 21471689
3-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 142654855
ethyl 3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylate
CID 24969821
3-[1-(3-chloro-5-methoxy-4-propoxybenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 55432764
3-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 55431925
methyl 3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanoate
CID 134069333
3-[1-(imidazo[1,2-a]pyridine-6-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 70724622
3-[1-[2-(ethylamino)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 136512317

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one (CID 51245657) is 3-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one is CCOc1ccc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1.
What is the InChIKey of 3-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is RRGXPTDFGIFITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-2-27-17-9-7-15(8-10-17)20(25)23-13-11-16(12-14-23)24-19-6-4-3-5-18(19)22-21(24)26/h3-10,16H,2,11-14H2,1H3,(H,22,26).
What are the key properties of 3-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 365.43 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 51245657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).