(2R)-4-benzyl-2-methyl-8-piperazin-1-yl-1,4-benzoxazin-3-one

C20H23N3O2 — CID 10382444

IUPAC(2R)-4-benzyl-2-methyl-8-piperazin-1-yl-1,4-benzoxazin-3-one
SMILESC[C@H]1Oc2c(N3CCNCC3)cccc2N(Cc2ccccc2)C1=O
InChIInChI=1S/C20H23N3O2/c1-15-20(24)23(14-16-6-3-2-4-7-16)18-9-5-8-17(19(18)25-15)22-12-10-21-11-13-22/h2-9,15,21H,10-14H2,1H3/t15-/m1/s1
InChIKeyMWURUDGUUWIJED-OAHLLOKOSA-N
MW337.42 g/mol
LogP2.41
Rot. Bonds3

About (2R)-4-benzyl-2-methyl-8-piperazin-1-yl-1,4-benzoxazin-3-one

(2R)-4-benzyl-2-methyl-8-piperazin-1-yl-1,4-benzoxazin-3-one (PubChem CID 10382444) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is (2R)-4-benzyl-2-methyl-8-piperazin-1-yl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name(2R)-4-benzyl-2-methyl-8-piperazin-1-yl-1,4-benzoxazin-3-one
PubChem CID10382444
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name(2R)-4-benzyl-2-methyl-8-piperazin-1-yl-1,4-benzoxazin-3-one
SMILESC[C@H]1Oc2c(N3CCNCC3)cccc2N(Cc2ccccc2)C1=O
InChIInChI=1S/C20H23N3O2/c1-15-20(24)23(14-16-6-3-2-4-7-16)18-9-5-8-17(19(18)25-15)22-12-10-21-11-13-22/h2-9,15,21H,10-14H2,1H3/t15-/m1/s1
InChIKeyMWURUDGUUWIJED-OAHLLOKOSA-N
XLogP2.41
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-4-benzyl-2-methyl-8-piperazin-1-yl-1,4-benzoxazin-3-one with MolForge

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Related Compounds

2-methyl-8-piperazin-1-yl-4-propyl-1,4-benzoxazin-3-one
CID 82018905
4-benzyl-2-methyl-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine
CID 83523743
2-(2-methyl-3-oxo-5-piperazin-1-yl-1,4-benzoxazin-4-yl)acetic acid
CID 82346291
5-benzyl-3-fluoro-10-piperazin-1-ylbenzo[b][1,4]benzoxazepin-6-one
CID 11509620
4-benzyl-2-methyl-3-oxo-1,4-benzoxazine-6-carboxylic acid
CID 82057901
(2R)-2-methyl-4-[(4-methylphenyl)methyl]-1,4-benzoxazin-3-one
CID 1431675
(3S)-1-benzyl-3-methyl-3,4-dihydroquinolin-2-one
CID 71351349
5-[(3-chlorophenyl)methyl]-1-fluoro-10-piperazin-1-ylbenzo[b][1,4]benzoxazepin-6-one
CID 11711826
2-methyl-4-(3-oxo-3-piperazin-1-ylpropyl)-1,4-benzoxazin-3-one;hydrochloride
CID 119402579
(4-benzyl-6-bromo-2-methyl-3-oxo-1,4-benzoxazin-7-yl)-methylazanium
CID 170748694
4-[(3-chlorophenyl)methyl]-6-fluoro-8-piperazin-1-yl-1,4-benzoxazin-3-one;hydrochloride
CID 141090256
4-[(3-bromo-5-fluorophenyl)methyl]-2-methyl-1,4-benzoxazin-3-one
CID 79698444

Frequently Asked Questions

What is the IUPAC name of (2R)-4-benzyl-2-methyl-8-piperazin-1-yl-1,4-benzoxazin-3-one?
The IUPAC name of (2R)-4-benzyl-2-methyl-8-piperazin-1-yl-1,4-benzoxazin-3-one (CID 10382444) is (2R)-4-benzyl-2-methyl-8-piperazin-1-yl-1,4-benzoxazin-3-one.
What is the SMILES notation for (2R)-4-benzyl-2-methyl-8-piperazin-1-yl-1,4-benzoxazin-3-one?
The canonical SMILES for (2R)-4-benzyl-2-methyl-8-piperazin-1-yl-1,4-benzoxazin-3-one is C[C@H]1Oc2c(N3CCNCC3)cccc2N(Cc2ccccc2)C1=O.
What is the InChIKey of (2R)-4-benzyl-2-methyl-8-piperazin-1-yl-1,4-benzoxazin-3-one?
The InChIKey is MWURUDGUUWIJED-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-15-20(24)23(14-16-6-3-2-4-7-16)18-9-5-8-17(19(18)25-15)22-12-10-21-11-13-22/h2-9,15,21H,10-14H2,1H3/t15-/m1/s1.
What are the key properties of (2R)-4-benzyl-2-methyl-8-piperazin-1-yl-1,4-benzoxazin-3-one?
(2R)-4-benzyl-2-methyl-8-piperazin-1-yl-1,4-benzoxazin-3-one has a molecular weight of 337.42 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-benzyl-2-methyl-8-piperazin-1-yl-1,4-benzoxazin-3-one is sourced from PubChem (CID 10382444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).