1-(1,3-benzoxazol-5-yl)-3-piperidin-1-ylpropan-1-one

C15H18N2O2 — CID 58514109

IUPAC1-(1,3-benzoxazol-5-yl)-3-piperidin-1-ylpropan-1-one
SMILESO=C(CCN1CCCCC1)c1ccc2ocnc2c1
InChIInChI=1S/C15H18N2O2/c18-14(6-9-17-7-2-1-3-8-17)12-4-5-15-13(10-12)16-11-19-15/h4-5,10-11H,1-3,6-9H2
InChIKeyRYBFYULOCCMXES-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.89
Rot. Bonds4

About 1-(1,3-benzoxazol-5-yl)-3-piperidin-1-ylpropan-1-one

1-(1,3-benzoxazol-5-yl)-3-piperidin-1-ylpropan-1-one (PubChem CID 58514109) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-5-yl)-3-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(1,3-benzoxazol-5-yl)-3-piperidin-1-ylpropan-1-one
PubChem CID58514109
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-(1,3-benzoxazol-5-yl)-3-piperidin-1-ylpropan-1-one
SMILESO=C(CCN1CCCCC1)c1ccc2ocnc2c1
InChIInChI=1S/C15H18N2O2/c18-14(6-9-17-7-2-1-3-8-17)12-4-5-15-13(10-12)16-11-19-15/h4-5,10-11H,1-3,6-9H2
InChIKeyRYBFYULOCCMXES-UHFFFAOYSA-N
XLogP2.89
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzoxazol-5-yl)-4-(4-methylphenyl)butane-1,4-dione
CID 90363778
3-(azepan-1-yl)-1-[4-[3-(azepan-1-yl)propanoyl]phenyl]propan-1-one;dihydrochloride
CID 52997576
1-(3,4-difluorophenyl)-3-piperidin-1-ylpropan-1-one
CID 58514245
1-isoquinolin-7-yl-3-piperidin-1-ylpropan-1-one
CID 58514088
1-(1,3-benzoxazol-5-yl)-4-pyridazin-3-ylbutane-1,4-dione
CID 90363784
3-(azepan-1-yl)-1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-1-one
CID 40544064
3-piperidin-1-yl-1-[4-[2-[3-(3-piperidin-1-ylpropanoyl)phenyl]propan-2-yl]phenyl]propan-1-one
CID 73213851
1-(4-fluoro-3-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one
CID 82050231
1-(1,3-benzoxazol-5-yl)-4-(2-methoxyphenyl)butane-1,4-dione;ethane
CID 144689456
1-(3H-inden-5-yl)-3-piperidin-1-ylpropan-1-one
CID 58514231
1-(1-benzothiophen-6-yl)-3-piperidin-1-ylpropan-1-one
CID 58514078
1-(2-methyl-3H-benzimidazol-5-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 82052621

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-5-yl)-3-piperidin-1-ylpropan-1-one?
The IUPAC name of 1-(1,3-benzoxazol-5-yl)-3-piperidin-1-ylpropan-1-one (CID 58514109) is 1-(1,3-benzoxazol-5-yl)-3-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(1,3-benzoxazol-5-yl)-3-piperidin-1-ylpropan-1-one?
The canonical SMILES for 1-(1,3-benzoxazol-5-yl)-3-piperidin-1-ylpropan-1-one is O=C(CCN1CCCCC1)c1ccc2ocnc2c1.
What is the InChIKey of 1-(1,3-benzoxazol-5-yl)-3-piperidin-1-ylpropan-1-one?
The InChIKey is RYBFYULOCCMXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-14(6-9-17-7-2-1-3-8-17)12-4-5-15-13(10-12)16-11-19-15/h4-5,10-11H,1-3,6-9H2.
What are the key properties of 1-(1,3-benzoxazol-5-yl)-3-piperidin-1-ylpropan-1-one?
1-(1,3-benzoxazol-5-yl)-3-piperidin-1-ylpropan-1-one has a molecular weight of 258.32 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-5-yl)-3-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 58514109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).