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

C23H26N4O3 — CID 62705176

IUPAC4-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-1,4-benzoxazin-3-one
SMILESO=C1COc2ccccc2N1CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C23H26N4O3/c28-22-16-30-21-9-4-3-8-20(21)26(22)13-5-12-25-14-10-17(11-15-25)27-19-7-2-1-6-18(19)24-23(27)29/h1-4,6-9,17H,5,10-16H2,(H,24,29)
InChIKeyVPQWKDKXRKHUGC-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.78
Rot. Bonds5

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

4-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-1,4-benzoxazin-3-one (PubChem CID 62705176) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 4-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-1,4-benzoxazin-3-one
PubChem CID62705176
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name4-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-1,4-benzoxazin-3-one
SMILESO=C1COc2ccccc2N1CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C23H26N4O3/c28-22-16-30-21-9-4-3-8-20(21)26(22)13-5-12-25-14-10-17(11-15-25)27-19-7-2-1-6-18(19)24-23(27)29/h1-4,6-9,17H,5,10-16H2,(H,24,29)
InChIKeyVPQWKDKXRKHUGC-UHFFFAOYSA-N
XLogP2.78
TPSA70.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[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-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-1,4-benzoxazin-3-one
CID 17409754
2-[4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]butyl]isoindole-1,3-dione
CID 18187410
1-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-3,4-dihydro-1,6-naphthyridin-2-one
CID 62705173
3-[1-[3-(N-phenylanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 12763869
(1R,2S,6R,7S)-4-[4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]butyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 10836686
3-[1-[3-[ethyl(methyl)amino]propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968531
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
3-[1-[3-(N-methylanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968530
3-[1-(2-phenylethyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 21262755
3-[1-(3-piperidin-4-ylpropyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968501
3-[1-(2-phenylsulfanylethyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968600
3-[1-(4,4-dimethoxybutyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968490

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-1,4-benzoxazin-3-one?
The IUPAC name of 4-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-1,4-benzoxazin-3-one (CID 62705176) is 4-[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-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-1,4-benzoxazin-3-one?
The canonical SMILES for 4-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-1,4-benzoxazin-3-one is O=C1COc2ccccc2N1CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of 4-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-1,4-benzoxazin-3-one?
The InChIKey is VPQWKDKXRKHUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c28-22-16-30-21-9-4-3-8-20(21)26(22)13-5-12-25-14-10-17(11-15-25)27-19-7-2-1-6-18(19)24-23(27)29/h1-4,6-9,17H,5,10-16H2,(H,24,29).
What are the key properties of 4-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-1,4-benzoxazin-3-one?
4-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-1,4-benzoxazin-3-one has a molecular weight of 406.49 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-1,4-benzoxazin-3-one is sourced from PubChem (CID 62705176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).