[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-fluoro-5-methyl-2-pyridinyl)methanone

C19H18FN3O2 — CID 146075115

IUPAC[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-fluoro-5-methyl-2-pyridinyl)methanone
SMILESCc1cnc(C(=O)N2CCCC(c3nc4ccccc4o3)C2)c(F)c1
InChIInChI=1S/C19H18FN3O2/c1-12-9-14(20)17(21-10-12)19(24)23-8-4-5-13(11-23)18-22-15-6-2-3-7-16(15)25-18/h2-3,6-7,9-10,13H,4-5,8,11H2,1H3
InChIKeyGMLAOLSKEVBDHF-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.69
Rot. Bonds2

About [3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-fluoro-5-methyl-2-pyridinyl)methanone

[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-fluoro-5-methyl-2-pyridinyl)methanone (PubChem CID 146075115) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is [3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-fluoro-5-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-fluoro-5-methyl-2-pyridinyl)methanone
PubChem CID146075115
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-fluoro-5-methyl-2-pyridinyl)methanone
SMILESCc1cnc(C(=O)N2CCCC(c3nc4ccccc4o3)C2)c(F)c1
InChIInChI=1S/C19H18FN3O2/c1-12-9-14(20)17(21-10-12)19(24)23-8-4-5-13(11-23)18-22-15-6-2-3-7-16(15)25-18/h2-3,6-7,9-10,13H,4-5,8,11H2,1H3
InChIKeyGMLAOLSKEVBDHF-UHFFFAOYSA-N
XLogP3.69
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-fluoro-5-methyl-2-pyridinyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 38317016
[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 47026887
[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-hydroxy-3,4-dimethylphenyl)methanone
CID 87016631
[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[(2S)-1,4-dioxan-2-yl]methanone
CID 38314468
[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone
CID 42957516
[3-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 75131651
1-[2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-methylpyridin-2-one
CID 126808828
1-[5-[(3R)-3-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1H-pyrrol-3-yl]ethanone
CID 38316652
[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-ethoxy-3-pyridinyl)methanone
CID 34729954
[3-(1,3-benzoxazol-2-ylamino)piperidin-1-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone
CID 134503214
[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)methanone
CID 146080671
[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1H-pyrazolo[5,4-b]pyridin-6-yl)methanone
CID 139599749

Frequently Asked Questions

What is the IUPAC name of [3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-fluoro-5-methyl-2-pyridinyl)methanone?
The IUPAC name of [3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-fluoro-5-methyl-2-pyridinyl)methanone (CID 146075115) is [3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-fluoro-5-methyl-2-pyridinyl)methanone.
What is the SMILES notation for [3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-fluoro-5-methyl-2-pyridinyl)methanone?
The canonical SMILES for [3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-fluoro-5-methyl-2-pyridinyl)methanone is Cc1cnc(C(=O)N2CCCC(c3nc4ccccc4o3)C2)c(F)c1.
What is the InChIKey of [3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-fluoro-5-methyl-2-pyridinyl)methanone?
The InChIKey is GMLAOLSKEVBDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-12-9-14(20)17(21-10-12)19(24)23-8-4-5-13(11-23)18-22-15-6-2-3-7-16(15)25-18/h2-3,6-7,9-10,13H,4-5,8,11H2,1H3.
What are the key properties of [3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-fluoro-5-methyl-2-pyridinyl)methanone?
[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-fluoro-5-methyl-2-pyridinyl)methanone has a molecular weight of 339.37 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-fluoro-5-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 146075115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).