ethyl 4-[(4-methyl-3-oxo-1,4-benzoxazin-7-yl)carbamoylamino]piperidine-1-carboxylate

C18H24N4O5 — CID 72888952

IUPACethyl 4-[(4-methyl-3-oxo-1,4-benzoxazin-7-yl)carbamoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)Nc2ccc3c(c2)OCC(=O)N3C)CC1
InChIInChI=1S/C18H24N4O5/c1-3-26-18(25)22-8-6-12(7-9-22)19-17(24)20-13-4-5-14-15(10-13)27-11-16(23)21(14)2/h4-5,10,12H,3,6-9,11H2,1-2H3,(H2,19,20,24)
InChIKeyNWNISKHHFXZGEU-UHFFFAOYSA-N
MW376.41 g/mol
LogP1.78
Rot. Bonds3

About ethyl 4-[(4-methyl-3-oxo-1,4-benzoxazin-7-yl)carbamoylamino]piperidine-1-carboxylate

ethyl 4-[(4-methyl-3-oxo-1,4-benzoxazin-7-yl)carbamoylamino]piperidine-1-carboxylate (PubChem CID 72888952) has the molecular formula C18H24N4O5 and a molecular weight of 376.41 g/mol. Its IUPAC name is ethyl 4-[(4-methyl-3-oxo-1,4-benzoxazin-7-yl)carbamoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-methyl-3-oxo-1,4-benzoxazin-7-yl)carbamoylamino]piperidine-1-carboxylate
PubChem CID72888952
Molecular FormulaC18H24N4O5
Molecular Weight376.41 g/mol
Exact Mass376.17
IUPAC Nameethyl 4-[(4-methyl-3-oxo-1,4-benzoxazin-7-yl)carbamoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)Nc2ccc3c(c2)OCC(=O)N3C)CC1
InChIInChI=1S/C18H24N4O5/c1-3-26-18(25)22-8-6-12(7-9-22)19-17(24)20-13-4-5-14-15(10-13)27-11-16(23)21(14)2/h4-5,10,12H,3,6-9,11H2,1-2H3,(H2,19,20,24)
InChIKeyNWNISKHHFXZGEU-UHFFFAOYSA-N
XLogP1.78
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[(4-methyl-3-oxo-1,4-benzoxazin-7-yl)carbamoylamino]piperidine-1-carboxylate with MolForge

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Related Compounds

ethyl 4-[(4-oxochromen-6-yl)carbamoylamino]piperidine-1-carboxylate
CID 72861714
ethyl 4-[(3-chlorophenyl)carbamoylamino]piperidine-1-carboxylate
CID 17423931
ethyl 4-[(3-iodophenyl)carbamoylamino]piperidine-1-carboxylate
CID 5146893
ethyl 4-[(4-chloro-3-methoxycarbonylphenyl)carbamoylamino]piperidine-1-carboxylate
CID 47040600
ethyl 4-[(3-chloro-4-methoxyphenyl)carbamoylamino]piperidine-1-carboxylate
CID 108989901
ethyl 4-[(3-fluoro-4-methoxyphenyl)carbamoylamino]piperidine-1-carboxylate
CID 51082659
ethyl 4-[(4-ethoxycarbonyloxyphenyl)carbamoylamino]piperidine-1-carboxylate
CID 108865690
ethyl 4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]piperidine-1-carboxylate
CID 3447759
ethyl 4-[[4-[2-(diethylamino)ethyl]phenyl]carbamoylamino]piperidine-1-carboxylate
CID 119049002
ethyl 4-[(2,6-dichloro-4-pyridinyl)carbamoylamino]piperidine-1-carboxylate
CID 23876750
ethyl 4-[[2-(1,3-benzodioxol-5-ylamino)acetyl]amino]piperidine-1-carboxylate
CID 109003787
ethyl 4-[[4-(2-methyltetrazol-5-yl)phenyl]carbamoylamino]piperidine-1-carboxylate
CID 72927518

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-methyl-3-oxo-1,4-benzoxazin-7-yl)carbamoylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(4-methyl-3-oxo-1,4-benzoxazin-7-yl)carbamoylamino]piperidine-1-carboxylate (CID 72888952) is ethyl 4-[(4-methyl-3-oxo-1,4-benzoxazin-7-yl)carbamoylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(4-methyl-3-oxo-1,4-benzoxazin-7-yl)carbamoylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(4-methyl-3-oxo-1,4-benzoxazin-7-yl)carbamoylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)Nc2ccc3c(c2)OCC(=O)N3C)CC1.
What is the InChIKey of ethyl 4-[(4-methyl-3-oxo-1,4-benzoxazin-7-yl)carbamoylamino]piperidine-1-carboxylate?
The InChIKey is NWNISKHHFXZGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O5/c1-3-26-18(25)22-8-6-12(7-9-22)19-17(24)20-13-4-5-14-15(10-13)27-11-16(23)21(14)2/h4-5,10,12H,3,6-9,11H2,1-2H3,(H2,19,20,24).
What are the key properties of ethyl 4-[(4-methyl-3-oxo-1,4-benzoxazin-7-yl)carbamoylamino]piperidine-1-carboxylate?
ethyl 4-[(4-methyl-3-oxo-1,4-benzoxazin-7-yl)carbamoylamino]piperidine-1-carboxylate has a molecular weight of 376.41 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-methyl-3-oxo-1,4-benzoxazin-7-yl)carbamoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 72888952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).