2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)propan-1-one

C21H29N3O2 — CID 46402844

IUPAC2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCN(C(=O)C(C)N2CCCC(c3nc4ccccc4o3)C2)CC1
InChIInChI=1S/C21H29N3O2/c1-15-9-12-23(13-10-15)21(25)16(2)24-11-5-6-17(14-24)20-22-18-7-3-4-8-19(18)26-20/h3-4,7-8,15-17H,5-6,9-14H2,1-2H3
InChIKeyJEAVTSPFHCTYLT-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.65
Rot. Bonds3

About 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)propan-1-one

2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)propan-1-one (PubChem CID 46402844) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)propan-1-one
PubChem CID46402844
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCN(C(=O)C(C)N2CCCC(c3nc4ccccc4o3)C2)CC1
InChIInChI=1S/C21H29N3O2/c1-15-9-12-23(13-10-15)21(25)16(2)24-11-5-6-17(14-24)20-22-18-7-3-4-8-19(18)26-20/h3-4,7-8,15-17H,5-6,9-14H2,1-2H3
InChIKeyJEAVTSPFHCTYLT-UHFFFAOYSA-N
XLogP3.65
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 95592437
(2R)-2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 31987220
2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-methylphenyl)propanamide
CID 46444293
2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-chlorophenyl)propanamide
CID 46402796
2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(4-chlorophenyl)propanamide
CID 46402845
(2R)-2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 37078163
2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 86984007
4-[[(2R)-2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]propanoyl]amino]benzamide
CID 31986928
(2S)-2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-phenylacetamide
CID 94110566
2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 46402789
1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-bromobutan-1-one
CID 62856831
2-[1-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-oxopropan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 122280353

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)propan-1-one (CID 46402844) is 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)propan-1-one is CC1CCN(C(=O)C(C)N2CCCC(c3nc4ccccc4o3)C2)CC1.
What is the InChIKey of 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)propan-1-one?
The InChIKey is JEAVTSPFHCTYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-15-9-12-23(13-10-15)21(25)16(2)24-11-5-6-17(14-24)20-22-18-7-3-4-8-19(18)26-20/h3-4,7-8,15-17H,5-6,9-14H2,1-2H3.
What are the key properties of 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)propan-1-one?
2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)propan-1-one has a molecular weight of 355.48 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 46402844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).