4-[3-(4-aminopiperidin-1-yl)propyl]-1,4-benzoxazin-3-one

C16H23N3O2 — CID 46930439

IUPAC4-[3-(4-aminopiperidin-1-yl)propyl]-1,4-benzoxazin-3-one
SMILESNC1CCN(CCCN2C(=O)COc3ccccc32)CC1
InChIInChI=1S/C16H23N3O2/c17-13-6-10-18(11-7-13)8-3-9-19-14-4-1-2-5-15(14)21-12-16(19)20/h1-2,4-5,13H,3,6-12,17H2
InChIKeyWLKDZVMRFQBGBE-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.23
Rot. Bonds4

About 4-[3-(4-aminopiperidin-1-yl)propyl]-1,4-benzoxazin-3-one

4-[3-(4-aminopiperidin-1-yl)propyl]-1,4-benzoxazin-3-one (PubChem CID 46930439) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-[3-(4-aminopiperidin-1-yl)propyl]-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-[3-(4-aminopiperidin-1-yl)propyl]-1,4-benzoxazin-3-one
PubChem CID46930439
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name4-[3-(4-aminopiperidin-1-yl)propyl]-1,4-benzoxazin-3-one
SMILESNC1CCN(CCCN2C(=O)COc3ccccc32)CC1
InChIInChI=1S/C16H23N3O2/c17-13-6-10-18(11-7-13)8-3-9-19-14-4-1-2-5-15(14)21-12-16(19)20/h1-2,4-5,13H,3,6-12,17H2
InChIKeyWLKDZVMRFQBGBE-UHFFFAOYSA-N
XLogP1.23
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4-phenylpiperidin-1-yl)ethyl]-1,4-benzoxazin-3-one
CID 24803652
4-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-1,4-benzoxazin-3-one
CID 62705176
4-[3-(dimethylamino)propyl]-1,4-benzoxazin-3-one
CID 117007291
4-(5-hydroxypentyl)-1,4-benzoxazin-3-one
CID 62229355
4-(3-oxo-1,4-benzoxazin-4-yl)butanoate
CID 7442942
4-[4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-1,4-benzoxazin-3-one
CID 12992366
methanol;4-propyl-1,4-benzoxazin-3-one
CID 91005222
4-(2-piperidin-2-ylethyl)-1,4-benzoxazin-3-one
CID 61348095
methyl 2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzoate
CID 24803495
4-[3-(4-butylpiperidin-1-yl)-2-fluoropropyl]-1,4-benzoxazin-3-one
CID 68911253
N'-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]morpholine-4-carboximidamide
CID 111818998
3-amino-N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119800542

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-aminopiperidin-1-yl)propyl]-1,4-benzoxazin-3-one?
The IUPAC name of 4-[3-(4-aminopiperidin-1-yl)propyl]-1,4-benzoxazin-3-one (CID 46930439) is 4-[3-(4-aminopiperidin-1-yl)propyl]-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-[3-(4-aminopiperidin-1-yl)propyl]-1,4-benzoxazin-3-one?
The canonical SMILES for 4-[3-(4-aminopiperidin-1-yl)propyl]-1,4-benzoxazin-3-one is NC1CCN(CCCN2C(=O)COc3ccccc32)CC1.
What is the InChIKey of 4-[3-(4-aminopiperidin-1-yl)propyl]-1,4-benzoxazin-3-one?
The InChIKey is WLKDZVMRFQBGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c17-13-6-10-18(11-7-13)8-3-9-19-14-4-1-2-5-15(14)21-12-16(19)20/h1-2,4-5,13H,3,6-12,17H2.
What are the key properties of 4-[3-(4-aminopiperidin-1-yl)propyl]-1,4-benzoxazin-3-one?
4-[3-(4-aminopiperidin-1-yl)propyl]-1,4-benzoxazin-3-one has a molecular weight of 289.38 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-aminopiperidin-1-yl)propyl]-1,4-benzoxazin-3-one is sourced from PubChem (CID 46930439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).