3-(2-methyl-1,3-benzoxazol-5-yl)-1-(4-methylpiperidin-1-yl)propan-1-one

C17H22N2O2 — CID 110390559

IUPAC3-(2-methyl-1,3-benzoxazol-5-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCc1nc2cc(CCC(=O)N3CCC(C)CC3)ccc2o1
InChIInChI=1S/C17H22N2O2/c1-12-7-9-19(10-8-12)17(20)6-4-14-3-5-16-15(11-14)18-13(2)21-16/h3,5,11-12H,4,6-10H2,1-2H3
InChIKeyBYFHUDSRBKNERS-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.33
Rot. Bonds3

About 3-(2-methyl-1,3-benzoxazol-5-yl)-1-(4-methylpiperidin-1-yl)propan-1-one

3-(2-methyl-1,3-benzoxazol-5-yl)-1-(4-methylpiperidin-1-yl)propan-1-one (PubChem CID 110390559) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-(2-methyl-1,3-benzoxazol-5-yl)-1-(4-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-methyl-1,3-benzoxazol-5-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
PubChem CID110390559
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name3-(2-methyl-1,3-benzoxazol-5-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCc1nc2cc(CCC(=O)N3CCC(C)CC3)ccc2o1
InChIInChI=1S/C17H22N2O2/c1-12-7-9-19(10-8-12)17(20)6-4-14-3-5-16-15(11-14)18-13(2)21-16/h3,5,11-12H,4,6-10H2,1-2H3
InChIKeyBYFHUDSRBKNERS-UHFFFAOYSA-N
XLogP3.33
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methyl-1,3-benzoxazol-5-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 110390612
3-methyl-5-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1,3-benzoxazol-2-one
CID 110683394
2-(2-methyl-1,3-benzoxazol-5-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 110773791
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methyl-1,3-benzoxazol-5-yl)ethanone
CID 110773832
N-cyclopentyl-4-[2-(2-methyl-1,3-benzoxazol-5-yl)acetyl]piperazine-1-carboxamide
CID 110813196
N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]cyclopropanecarboxamide
CID 110707465
N-[2-(dimethylamino)ethyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390565
3-(2-methyl-1,3-benzoxazol-5-yl)-N-(4-methylphenyl)propanamide
CID 110390639
N,N-dimethyl-4-[2-(2-methyl-1,3-benzoxazol-5-yl)acetyl]piperazine-1-sulfonamide
CID 110805132
3-[methyl-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]amino]propanoic acid
CID 112519384
N-methyl-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]acetamide
CID 115191348
N-(2-methoxyethyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390561

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1,3-benzoxazol-5-yl)-1-(4-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-(2-methyl-1,3-benzoxazol-5-yl)-1-(4-methylpiperidin-1-yl)propan-1-one (CID 110390559) is 3-(2-methyl-1,3-benzoxazol-5-yl)-1-(4-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(2-methyl-1,3-benzoxazol-5-yl)-1-(4-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-(2-methyl-1,3-benzoxazol-5-yl)-1-(4-methylpiperidin-1-yl)propan-1-one is Cc1nc2cc(CCC(=O)N3CCC(C)CC3)ccc2o1.
What is the InChIKey of 3-(2-methyl-1,3-benzoxazol-5-yl)-1-(4-methylpiperidin-1-yl)propan-1-one?
The InChIKey is BYFHUDSRBKNERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-7-9-19(10-8-12)17(20)6-4-14-3-5-16-15(11-14)18-13(2)21-16/h3,5,11-12H,4,6-10H2,1-2H3.
What are the key properties of 3-(2-methyl-1,3-benzoxazol-5-yl)-1-(4-methylpiperidin-1-yl)propan-1-one?
3-(2-methyl-1,3-benzoxazol-5-yl)-1-(4-methylpiperidin-1-yl)propan-1-one has a molecular weight of 286.38 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1,3-benzoxazol-5-yl)-1-(4-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 110390559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).