1-[3-(3-fluoroanilino)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one

C18H26FN3O2 — CID 24816937

IUPAC1-[3-(3-fluoroanilino)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one
SMILESO=C(CCN1CCCCO1)N1CCCC(Nc2cccc(F)c2)C1
InChIInChI=1S/C18H26FN3O2/c19-15-5-3-6-16(13-15)20-17-7-4-9-21(14-17)18(23)8-11-22-10-1-2-12-24-22/h3,5-6,13,17,20H,1-2,4,7-12,14H2
InChIKeyUCOVXPLLPQTPIJ-UHFFFAOYSA-N
MW335.42 g/mol
LogP2.65
Rot. Bonds5

About 1-[3-(3-fluoroanilino)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one

1-[3-(3-fluoroanilino)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one (PubChem CID 24816937) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is 1-[3-(3-fluoroanilino)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[3-(3-fluoroanilino)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one
PubChem CID24816937
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC Name1-[3-(3-fluoroanilino)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one
SMILESO=C(CCN1CCCCO1)N1CCCC(Nc2cccc(F)c2)C1
InChIInChI=1S/C18H26FN3O2/c19-15-5-3-6-16(13-15)20-17-7-4-9-21(14-17)18(23)8-11-22-10-1-2-12-24-22/h3,5-6,13,17,20H,1-2,4,7-12,14H2
InChIKeyUCOVXPLLPQTPIJ-UHFFFAOYSA-N
XLogP2.65
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S)-3-(3,4-difluoroanilino)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one
CID 25377137
1-[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one
CID 25377133
1-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-3-(1-methylpiperidin-4-yl)propan-1-one
CID 95713603
1-[(3S)-3-(3-fluoroanilino)piperidin-1-yl]-2-methoxyethanone
CID 25370122
1-[2-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 26321736
2-chloro-N-[[(3S)-1-[3-(oxazinan-2-yl)propanoyl]piperidin-3-yl]methyl]benzamide
CID 26398170
1-[3-(3-fluoroanilino)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 45222417
1-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 25447576
[3-(3-fluoroanilino)piperidin-1-yl]-thiophen-3-ylmethanone
CID 24791859
N-[4-[(3R)-3-(3-fluoroanilino)piperidine-1-carbonyl]phenyl]acetamide
CID 25380229
1-[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one
CID 26335077
1-[(3S)-3-(naphthalene-1-carbonyl)piperidin-1-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one
CID 42217114

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-fluoroanilino)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one?
The IUPAC name of 1-[3-(3-fluoroanilino)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one (CID 24816937) is 1-[3-(3-fluoroanilino)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one.
What is the SMILES notation for 1-[3-(3-fluoroanilino)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one?
The canonical SMILES for 1-[3-(3-fluoroanilino)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one is O=C(CCN1CCCCO1)N1CCCC(Nc2cccc(F)c2)C1.
What is the InChIKey of 1-[3-(3-fluoroanilino)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one?
The InChIKey is UCOVXPLLPQTPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O2/c19-15-5-3-6-16(13-15)20-17-7-4-9-21(14-17)18(23)8-11-22-10-1-2-12-24-22/h3,5-6,13,17,20H,1-2,4,7-12,14H2.
What are the key properties of 1-[3-(3-fluoroanilino)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one?
1-[3-(3-fluoroanilino)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one has a molecular weight of 335.42 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-fluoroanilino)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one is sourced from PubChem (CID 24816937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).