6-[4-(benzimidazol-1-yl)piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one

C21H20N4O3 — CID 151978596

IUPAC6-[4-(benzimidazol-1-yl)piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2ccc(C(=O)N3CCC(n4cnc5ccccc54)CC3)cc2N1
InChIInChI=1S/C21H20N4O3/c26-20-12-28-19-6-5-14(11-17(19)23-20)21(27)24-9-7-15(8-10-24)25-13-22-16-3-1-2-4-18(16)25/h1-6,11,13,15H,7-10,12H2,(H,23,26)
InChIKeyUCEONXCQGOZUCQ-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.84
Rot. Bonds2

About 6-[4-(benzimidazol-1-yl)piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one

6-[4-(benzimidazol-1-yl)piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one (PubChem CID 151978596) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 6-[4-(benzimidazol-1-yl)piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[4-(benzimidazol-1-yl)piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one
PubChem CID151978596
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name6-[4-(benzimidazol-1-yl)piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2ccc(C(=O)N3CCC(n4cnc5ccccc54)CC3)cc2N1
InChIInChI=1S/C21H20N4O3/c26-20-12-28-19-6-5-14(11-17(19)23-20)21(27)24-9-7-15(8-10-24)25-13-22-16-3-1-2-4-18(16)25/h1-6,11,13,15H,7-10,12H2,(H,23,26)
InChIKeyUCEONXCQGOZUCQ-UHFFFAOYSA-N
XLogP2.84
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[4-(benzimidazol-1-yl)piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one with MolForge

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Related Compounds

6-(4-acetylpiperazine-1-carbonyl)-4H-1,4-benzoxazin-3-one
CID 110763765
6-(4-oxopiperidine-1-carbonyl)-4H-1,4-benzoxazin-3-one
CID 96669404
6-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 55447637
6-[4-[(R)-(4-methylphenyl)-phenylmethyl]piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 150432761
4-(benzimidazol-1-yl)piperidine-1-carboxylic acid
CID 22047977
6-[4-[(3,5-difluorophenyl)methyl]piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 138709360
N-cyclopropyl-2-[4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperazin-1-yl]propanamide
CID 55490182
4-[[1-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperidin-4-yl]methoxy]benzonitrile
CID 134226499
7-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 30496869
6-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 55442082
6-[4-[(S)-[4-(2-fluoroethoxy)phenyl]-phenylmethyl]piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 155162884
6-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 94485229

Frequently Asked Questions

What is the IUPAC name of 6-[4-(benzimidazol-1-yl)piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-[4-(benzimidazol-1-yl)piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one (CID 151978596) is 6-[4-(benzimidazol-1-yl)piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[4-(benzimidazol-1-yl)piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[4-(benzimidazol-1-yl)piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one is O=C1COc2ccc(C(=O)N3CCC(n4cnc5ccccc54)CC3)cc2N1.
What is the InChIKey of 6-[4-(benzimidazol-1-yl)piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one?
The InChIKey is UCEONXCQGOZUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c26-20-12-28-19-6-5-14(11-17(19)23-20)21(27)24-9-7-15(8-10-24)25-13-22-16-3-1-2-4-18(16)25/h1-6,11,13,15H,7-10,12H2,(H,23,26).
What are the key properties of 6-[4-(benzimidazol-1-yl)piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one?
6-[4-(benzimidazol-1-yl)piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one has a molecular weight of 376.42 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(benzimidazol-1-yl)piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 151978596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).