N-[1-[3-(6,7-difluoro-3-oxo-1,4-benzoxazin-4-yl)propyl]piperidin-4-yl]propanamide

C19H25F2N3O3 — CID 46930343

IUPACN-[1-[3-(6,7-difluoro-3-oxo-1,4-benzoxazin-4-yl)propyl]piperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(CCCN2C(=O)COc3cc(F)c(F)cc32)CC1
InChIInChI=1S/C19H25F2N3O3/c1-2-18(25)22-13-4-8-23(9-5-13)6-3-7-24-16-10-14(20)15(21)11-17(16)27-12-19(24)26/h10-11,13H,2-9,12H2,1H3,(H,22,25)
InChIKeyAVFXNOKZTBKFHQ-UHFFFAOYSA-N
MW381.42 g/mol
LogP2.07
Rot. Bonds6

About N-[1-[3-(6,7-difluoro-3-oxo-1,4-benzoxazin-4-yl)propyl]piperidin-4-yl]propanamide

N-[1-[3-(6,7-difluoro-3-oxo-1,4-benzoxazin-4-yl)propyl]piperidin-4-yl]propanamide (PubChem CID 46930343) has the molecular formula C19H25F2N3O3 and a molecular weight of 381.42 g/mol. Its IUPAC name is N-[1-[3-(6,7-difluoro-3-oxo-1,4-benzoxazin-4-yl)propyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[1-[3-(6,7-difluoro-3-oxo-1,4-benzoxazin-4-yl)propyl]piperidin-4-yl]propanamide
PubChem CID46930343
Molecular FormulaC19H25F2N3O3
Molecular Weight381.42 g/mol
Exact Mass381.19
IUPAC NameN-[1-[3-(6,7-difluoro-3-oxo-1,4-benzoxazin-4-yl)propyl]piperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(CCCN2C(=O)COc3cc(F)c(F)cc32)CC1
InChIInChI=1S/C19H25F2N3O3/c1-2-18(25)22-13-4-8-23(9-5-13)6-3-7-24-16-10-14(20)15(21)11-17(16)27-12-19(24)26/h10-11,13H,2-9,12H2,1H3,(H,22,25)
InChIKeyAVFXNOKZTBKFHQ-UHFFFAOYSA-N
XLogP2.07
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(6,7-difluoro-3-oxo-1,4-benzoxazin-4-yl)propyl]piperidin-4-yl]propanamide?
The IUPAC name of N-[1-[3-(6,7-difluoro-3-oxo-1,4-benzoxazin-4-yl)propyl]piperidin-4-yl]propanamide (CID 46930343) is N-[1-[3-(6,7-difluoro-3-oxo-1,4-benzoxazin-4-yl)propyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-[1-[3-(6,7-difluoro-3-oxo-1,4-benzoxazin-4-yl)propyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-[1-[3-(6,7-difluoro-3-oxo-1,4-benzoxazin-4-yl)propyl]piperidin-4-yl]propanamide is CCC(=O)NC1CCN(CCCN2C(=O)COc3cc(F)c(F)cc32)CC1.
What is the InChIKey of N-[1-[3-(6,7-difluoro-3-oxo-1,4-benzoxazin-4-yl)propyl]piperidin-4-yl]propanamide?
The InChIKey is AVFXNOKZTBKFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2N3O3/c1-2-18(25)22-13-4-8-23(9-5-13)6-3-7-24-16-10-14(20)15(21)11-17(16)27-12-19(24)26/h10-11,13H,2-9,12H2,1H3,(H,22,25).
What are the key properties of N-[1-[3-(6,7-difluoro-3-oxo-1,4-benzoxazin-4-yl)propyl]piperidin-4-yl]propanamide?
N-[1-[3-(6,7-difluoro-3-oxo-1,4-benzoxazin-4-yl)propyl]piperidin-4-yl]propanamide has a molecular weight of 381.42 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(6,7-difluoro-3-oxo-1,4-benzoxazin-4-yl)propyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 46930343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).