tert-butyl 4-(6-chloro-2-oxo-1,4-dihydro-3,1-benzoxazin-4-yl)piperidine-1-carboxylate

C18H23ClN2O4 — CID 58793946

IUPACtert-butyl 4-(6-chloro-2-oxo-1,4-dihydro-3,1-benzoxazin-4-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C2OC(=O)Nc3ccc(Cl)cc32)CC1
InChIInChI=1S/C18H23ClN2O4/c1-18(2,3)25-17(23)21-8-6-11(7-9-21)15-13-10-12(19)4-5-14(13)20-16(22)24-15/h4-5,10-11,15H,6-9H2,1-3H3,(H,20,22)
InChIKeyGXNSGFCLATWWJV-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.59
Rot. Bonds1

About tert-butyl 4-(6-chloro-2-oxo-1,4-dihydro-3,1-benzoxazin-4-yl)piperidine-1-carboxylate

tert-butyl 4-(6-chloro-2-oxo-1,4-dihydro-3,1-benzoxazin-4-yl)piperidine-1-carboxylate (PubChem CID 58793946) has the molecular formula C18H23ClN2O4 and a molecular weight of 366.85 g/mol. Its IUPAC name is tert-butyl 4-(6-chloro-2-oxo-1,4-dihydro-3,1-benzoxazin-4-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(6-chloro-2-oxo-1,4-dihydro-3,1-benzoxazin-4-yl)piperidine-1-carboxylate
PubChem CID58793946
Molecular FormulaC18H23ClN2O4
Molecular Weight366.85 g/mol
Exact Mass366.13
IUPAC Nametert-butyl 4-(6-chloro-2-oxo-1,4-dihydro-3,1-benzoxazin-4-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C2OC(=O)Nc3ccc(Cl)cc32)CC1
InChIInChI=1S/C18H23ClN2O4/c1-18(2,3)25-17(23)21-8-6-11(7-9-21)15-13-10-12(19)4-5-14(13)20-16(22)24-15/h4-5,10-11,15H,6-9H2,1-3H3,(H,20,22)
InChIKeyGXNSGFCLATWWJV-UHFFFAOYSA-N
XLogP4.59
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-(6-chloro-2-oxo-1,4-dihydro-3,1-benzoxazin-4-yl)piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-(2,4-dichlorophenyl)piperidine-1-carboxylate
CID 69189630
tert-butyl 4-(4-chloro-2-hydroxyphenyl)piperidine-1-carboxylate
CID 58222053
tert-butyl 6-chloro-2-oxospiro[1H-3,1-benzoxazine-4,3'-piperidine]-1'-carboxylate
CID 102423145
tert-butyl 4-[(S)-(2,4-dichlorophenyl)sulfinyl]piperidine-1-carboxylate
CID 96845532
tert-butyl (3R)-3-[(3S)-2-oxo-1,3-dihydroindol-3-yl]pyrrolidine-1-carboxylate
CID 98060720
tert-butyl 4-(3,5-dichlorophenyl)piperidine-1-carboxylate
CID 27281787
tert-butyl 4-(4-bromo-2-oxo-1,3-dihydroindol-3-yl)piperidine-1-carboxylate
CID 166638581
tert-butyl 3-(6-chloro-2,3-dihydro-1H-indol-2-yl)piperidine-1-carboxylate
CID 70223224
tert-butyl 4-[1-(2-fluoro-5-methylphenyl)piperidin-4-yl]piperidine-1-carboxylate
CID 24961069
tert-butyl 4-(5-chloro-2-methylbenzoyl)piperidine-1-carboxylate
CID 58539966
tert-butyl 4-(4-chloro-N-methylanilino)piperidine-1-carboxylate
CID 169123222
tert-butyl 4-(4-chlorobenzoyl)piperidine-1-carboxylate
CID 10519988

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(6-chloro-2-oxo-1,4-dihydro-3,1-benzoxazin-4-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(6-chloro-2-oxo-1,4-dihydro-3,1-benzoxazin-4-yl)piperidine-1-carboxylate (CID 58793946) is tert-butyl 4-(6-chloro-2-oxo-1,4-dihydro-3,1-benzoxazin-4-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(6-chloro-2-oxo-1,4-dihydro-3,1-benzoxazin-4-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(6-chloro-2-oxo-1,4-dihydro-3,1-benzoxazin-4-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C2OC(=O)Nc3ccc(Cl)cc32)CC1.
What is the InChIKey of tert-butyl 4-(6-chloro-2-oxo-1,4-dihydro-3,1-benzoxazin-4-yl)piperidine-1-carboxylate?
The InChIKey is GXNSGFCLATWWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O4/c1-18(2,3)25-17(23)21-8-6-11(7-9-21)15-13-10-12(19)4-5-14(13)20-16(22)24-15/h4-5,10-11,15H,6-9H2,1-3H3,(H,20,22).
What are the key properties of tert-butyl 4-(6-chloro-2-oxo-1,4-dihydro-3,1-benzoxazin-4-yl)piperidine-1-carboxylate?
tert-butyl 4-(6-chloro-2-oxo-1,4-dihydro-3,1-benzoxazin-4-yl)piperidine-1-carboxylate has a molecular weight of 366.85 g/mol, XLogP of 4.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(6-chloro-2-oxo-1,4-dihydro-3,1-benzoxazin-4-yl)piperidine-1-carboxylate is sourced from PubChem (CID 58793946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).