1-[2-[2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one

C19H23N3O3 — CID 71849209

IUPAC1-[2-[2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one
SMILESO=C1CCCCN1CC(=O)N1CCCCC1c1nc2ccccc2o1
InChIInChI=1S/C19H23N3O3/c23-17-10-4-5-11-21(17)13-18(24)22-12-6-3-8-15(22)19-20-14-7-1-2-9-16(14)25-19/h1-2,7,9,15H,3-6,8,10-13H2
InChIKeyUVLQTJOQUBKWSY-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.89
Rot. Bonds3

About 1-[2-[2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one

1-[2-[2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one (PubChem CID 71849209) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-[2-[2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-[2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one
PubChem CID71849209
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name1-[2-[2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one
SMILESO=C1CCCCN1CC(=O)N1CCCCC1c1nc2ccccc2o1
InChIInChI=1S/C19H23N3O3/c23-17-10-4-5-11-21(17)13-18(24)22-12-6-3-8-15(22)19-20-14-7-1-2-9-16(14)25-19/h1-2,7,9,15H,3-6,8,10-13H2
InChIKeyUVLQTJOQUBKWSY-UHFFFAOYSA-N
XLogP2.89
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methylbenzoxazole
CID 7225
L 696229
CID 72352
2-(Piperazin-1-yl)-1,3-benzoxazole
CID 647818
3,3'-Diethyloxacarbocyanine iodide
CID 6538326
3,3'-Diethyloxadicarbocyanine iodide
CID 5702692
L 696040
CID 131887
N-[(2R)-2-{[(2S)-2-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]carbonyl}hexyl]-N-hydroxyformamide
CID 25134267
Benzoxazolium, 3-ethyl-2-methyl-, iodide (1:1)
CID 21331
Benzoxazole, 2-ethyl-
CID 23239
1,3-Benzoxazole-2-carbonitrile
CID 11147793
3-((7-Methyl-Benzoxazol-2-ylmethyl)amino)-5-ethyl-6-methlpyridin-2(1H)-one
CID 453443
2(1H)-Pyridinone, 5-ethyl-3-(((4-fluoro-2-benzoxazolyl)methyl)amino)-6-methyl-
CID 454408

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one?
The IUPAC name of 1-[2-[2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one (CID 71849209) is 1-[2-[2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one.
What is the SMILES notation for 1-[2-[2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one?
The canonical SMILES for 1-[2-[2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one is O=C1CCCCN1CC(=O)N1CCCCC1c1nc2ccccc2o1.
What is the InChIKey of 1-[2-[2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one?
The InChIKey is UVLQTJOQUBKWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c23-17-10-4-5-11-21(17)13-18(24)22-12-6-3-8-15(22)19-20-14-7-1-2-9-16(14)25-19/h1-2,7,9,15H,3-6,8,10-13H2.
What are the key properties of 1-[2-[2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one?
1-[2-[2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one has a molecular weight of 341.41 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one is sourced from PubChem (CID 71849209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).