N-morpholin-4-yl-1-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-4-carboxamide

C18H24N4O6S — CID 3651923

IUPACN-morpholin-4-yl-1-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-4-carboxamide
SMILESO=C1COc2cc(S(=O)(=O)N3CCC(C(=O)NN4CCOCC4)CC3)ccc2N1
InChIInChI=1S/C18H24N4O6S/c23-17-12-28-16-11-14(1-2-15(16)19-17)29(25,26)22-5-3-13(4-6-22)18(24)20-21-7-9-27-10-8-21/h1-2,11,13H,3-10,12H2,(H,19,23)(H,20,24)
InChIKeyZYWXFSHWIOZTJS-UHFFFAOYSA-N
MW424.48 g/mol
LogP-0.22
Rot. Bonds4

About N-morpholin-4-yl-1-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-4-carboxamide

N-morpholin-4-yl-1-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-4-carboxamide (PubChem CID 3651923) has the molecular formula C18H24N4O6S and a molecular weight of 424.48 g/mol. Its IUPAC name is N-morpholin-4-yl-1-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-morpholin-4-yl-1-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-4-carboxamide
PubChem CID3651923
Molecular FormulaC18H24N4O6S
Molecular Weight424.48 g/mol
Exact Mass424.14
IUPAC NameN-morpholin-4-yl-1-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-4-carboxamide
SMILESO=C1COc2cc(S(=O)(=O)N3CCC(C(=O)NN4CCOCC4)CC3)ccc2N1
InChIInChI=1S/C18H24N4O6S/c23-17-12-28-16-11-14(1-2-15(16)19-17)29(25,26)22-5-3-13(4-6-22)18(24)20-21-7-9-27-10-8-21/h1-2,11,13H,3-10,12H2,(H,19,23)(H,20,24)
InChIKeyZYWXFSHWIOZTJS-UHFFFAOYSA-N
XLogP-0.22
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-morpholin-4-yl-1-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-(4-chlorophenyl)-1-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-4-carboxamide
CID 126458868
6-[4-(morpholine-4-carbonyl)piperidin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one
CID 53068465
N-butyl-N-methyl-1-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-4-carboxamide
CID 126458797
N-(3-chloro-4-methylphenyl)-1-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]piperidine-4-carboxamide
CID 22548726
N-(2-ethylphenyl)-1-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]piperidine-4-carboxamide
CID 22548692
6-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one
CID 92870844
1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-cyclopentylpiperidine-4-carboxamide
CID 46288738
6-(azepan-1-ylsulfonyl)-4H-1,4-benzoxazin-3-one
CID 22548236
N-[1-(furan-2-yl)propan-2-yl]-1-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]piperidine-4-carboxamide
CID 53068467
7-(4-butan-2-ylpiperazin-1-yl)sulfonyl-4H-1,4-benzoxazin-3-one
CID 126460332
N-(2,4-dimethylphenyl)-1-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-4-carboxamide
CID 46288668
7-(2-ethylpiperidin-1-yl)sulfonyl-4H-1,4-benzoxazin-3-one
CID 126458848

Frequently Asked Questions

What is the IUPAC name of N-morpholin-4-yl-1-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-4-carboxamide?
The IUPAC name of N-morpholin-4-yl-1-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-4-carboxamide (CID 3651923) is N-morpholin-4-yl-1-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-morpholin-4-yl-1-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-4-carboxamide?
The canonical SMILES for N-morpholin-4-yl-1-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-4-carboxamide is O=C1COc2cc(S(=O)(=O)N3CCC(C(=O)NN4CCOCC4)CC3)ccc2N1.
What is the InChIKey of N-morpholin-4-yl-1-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-4-carboxamide?
The InChIKey is ZYWXFSHWIOZTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O6S/c23-17-12-28-16-11-14(1-2-15(16)19-17)29(25,26)22-5-3-13(4-6-22)18(24)20-21-7-9-27-10-8-21/h1-2,11,13H,3-10,12H2,(H,19,23)(H,20,24).
What are the key properties of N-morpholin-4-yl-1-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-4-carboxamide?
N-morpholin-4-yl-1-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-4-carboxamide has a molecular weight of 424.48 g/mol, XLogP of -0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-morpholin-4-yl-1-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-4-carboxamide is sourced from PubChem (CID 3651923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).