4-[3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-1,4-benzoxazin-3-one

C23H24N4O4 — CID 17409754

IUPAC4-[3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-1,4-benzoxazin-3-one
SMILESO=C(CCN1C(=O)COc2ccccc21)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C23H24N4O4/c28-21(11-14-26-19-7-3-4-8-20(19)31-15-22(26)29)25-12-9-16(10-13-25)27-18-6-2-1-5-17(18)24-23(27)30/h1-8,16H,9-15H2,(H,24,30)
InChIKeyXHDRLLFJWNKDOC-UHFFFAOYSA-N
MW420.47 g/mol
LogP2.31
Rot. Bonds4

About 4-[3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-1,4-benzoxazin-3-one

4-[3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-1,4-benzoxazin-3-one (PubChem CID 17409754) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is 4-[3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-[3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-1,4-benzoxazin-3-one
PubChem CID17409754
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name4-[3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-1,4-benzoxazin-3-one
SMILESO=C(CCN1C(=O)COc2ccccc21)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C23H24N4O4/c28-21(11-14-26-19-7-3-4-8-20(19)31-15-22(26)29)25-12-9-16(10-13-25)27-18-6-2-1-5-17(18)24-23(27)30/h1-8,16H,9-15H2,(H,24,30)
InChIKeyXHDRLLFJWNKDOC-UHFFFAOYSA-N
XLogP2.31
TPSA87.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-1,4-benzoxazin-3-one with MolForge

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Related Compounds

4-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-1,4-benzoxazin-3-one
CID 62705176
6-(2-methylbutan-2-yl)-4-[4-oxo-4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]butyl]-1,4-benzoxazin-3-one
CID 3665522
4-(3-oxo-3-piperazin-1-ylpropyl)-1,4-benzoxazin-3-one
CID 39163207
4-(3-oxo-3-piperidin-1-ylpropyl)-1,4-benzoxazin-3-one
CID 5018828
3-[1-(6-phenylhexanoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 57456411
N-[3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]prop-2-enamide
CID 172967751
4-[3-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3-oxopropyl]-1,4-benzoxazin-3-one
CID 35367982
4-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]-1,4-benzoxazin-3-one;hydrochloride
CID 120816015
N-cyclohexyl-4-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoyl]piperazine-1-carboxamide
CID 55575029
methyl 3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanoate
CID 134069333
4-[3-oxo-3-[4-(2-phenylethyl)piperazin-1-yl]propyl]-1,4-benzoxazin-3-one
CID 35951831
1-naphthalen-1-yl-4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]butane-1,4-dione
CID 21109782

Frequently Asked Questions

What is the IUPAC name of 4-[3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-1,4-benzoxazin-3-one?
The IUPAC name of 4-[3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-1,4-benzoxazin-3-one (CID 17409754) is 4-[3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-[3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-1,4-benzoxazin-3-one?
The canonical SMILES for 4-[3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-1,4-benzoxazin-3-one is O=C(CCN1C(=O)COc2ccccc21)N1CCC(n2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of 4-[3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-1,4-benzoxazin-3-one?
The InChIKey is XHDRLLFJWNKDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c28-21(11-14-26-19-7-3-4-8-20(19)31-15-22(26)29)25-12-9-16(10-13-25)27-18-6-2-1-5-17(18)24-23(27)30/h1-8,16H,9-15H2,(H,24,30).
What are the key properties of 4-[3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-1,4-benzoxazin-3-one?
4-[3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-1,4-benzoxazin-3-one has a molecular weight of 420.47 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-1,4-benzoxazin-3-one is sourced from PubChem (CID 17409754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).