1-[2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-methylpyridin-2-one

C20H21N3O3 — CID 126808828

IUPAC1-[2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-methylpyridin-2-one
SMILESCc1ccn(CC(=O)N2CCCC(c3nc4ccccc4o3)C2)c(=O)c1
InChIInChI=1S/C20H21N3O3/c1-14-8-10-23(18(24)11-14)13-19(25)22-9-4-5-15(12-22)20-21-16-6-2-3-7-17(16)26-20/h2-3,6-8,10-11,15H,4-5,9,12-13H2,1H3
InChIKeyVLMRPPRKFOGFNS-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.70
Rot. Bonds3

About 1-[2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-methylpyridin-2-one

1-[2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-methylpyridin-2-one (PubChem CID 126808828) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-[2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-methylpyridin-2-one.

Molecular Properties

Compound Name1-[2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-methylpyridin-2-one
PubChem CID126808828
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name1-[2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-methylpyridin-2-one
SMILESCc1ccn(CC(=O)N2CCCC(c3nc4ccccc4o3)C2)c(=O)c1
InChIInChI=1S/C20H21N3O3/c1-14-8-10-23(18(24)11-14)13-19(25)22-9-4-5-15(12-22)20-21-16-6-2-3-7-17(16)26-20/h2-3,6-8,10-11,15H,4-5,9,12-13H2,1H3
InChIKeyVLMRPPRKFOGFNS-UHFFFAOYSA-N
XLogP2.70
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-methylpyridin-2-one with MolForge

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Related Compounds

2-(5-amino-3-methylpyrazol-1-yl)-1-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]ethanone
CID 91840708
1-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(triazol-1-yl)ethanone
CID 118792880
ethyl 1-[2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]cyclobutane-1-carboxylate
CID 99793584
1-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 118776934
1-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 71882065
[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-fluoro-5-methyl-2-pyridinyl)methanone
CID 146075115
[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 47026887
[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 38317016
1-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone
CID 71942088
1-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 124758192
N-[(1S)-3-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 34729697
4-[2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]acetyl]piperazin-2-one
CID 37079341

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-methylpyridin-2-one?
The IUPAC name of 1-[2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-methylpyridin-2-one (CID 126808828) is 1-[2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-methylpyridin-2-one.
What is the SMILES notation for 1-[2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-methylpyridin-2-one?
The canonical SMILES for 1-[2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-methylpyridin-2-one is Cc1ccn(CC(=O)N2CCCC(c3nc4ccccc4o3)C2)c(=O)c1.
What is the InChIKey of 1-[2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-methylpyridin-2-one?
The InChIKey is VLMRPPRKFOGFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-14-8-10-23(18(24)11-14)13-19(25)22-9-4-5-15(12-22)20-21-16-6-2-3-7-17(16)26-20/h2-3,6-8,10-11,15H,4-5,9,12-13H2,1H3.
What are the key properties of 1-[2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-methylpyridin-2-one?
1-[2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-methylpyridin-2-one has a molecular weight of 351.41 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-methylpyridin-2-one is sourced from PubChem (CID 126808828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).