2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-methylphenyl)propanamide

C22H25N3O2 — CID 46444293

IUPAC2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)C(C)N1CCCC(c2nc3ccccc3o2)C1
InChIInChI=1S/C22H25N3O2/c1-15-8-3-4-10-18(15)23-21(26)16(2)25-13-7-9-17(14-25)22-24-19-11-5-6-12-20(19)27-22/h3-6,8,10-12,16-17H,7,9,13-14H2,1-2H3,(H,23,26)
InChIKeyDLTYDYOQNZIWNG-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.34
Rot. Bonds4

About 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-methylphenyl)propanamide

2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-methylphenyl)propanamide (PubChem CID 46444293) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-methylphenyl)propanamide
PubChem CID46444293
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)C(C)N1CCCC(c2nc3ccccc3o2)C1
InChIInChI=1S/C22H25N3O2/c1-15-8-3-4-10-18(15)23-21(26)16(2)25-13-7-9-17(14-25)22-24-19-11-5-6-12-20(19)27-22/h3-6,8,10-12,16-17H,7,9,13-14H2,1-2H3,(H,23,26)
InChIKeyDLTYDYOQNZIWNG-UHFFFAOYSA-N
XLogP4.34
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-(2,4,6-trimethylphenyl)propanamide
CID 86984007
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
(2R)-2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 31987220
4-[[(2R)-2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]propanoyl]amino]benzamide
CID 31986928
2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 46402789
2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 46402844
(2R)-2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 95592437
(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-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylpropanamide
CID 78870807
[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 47026887

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-methylphenyl)propanamide?
The IUPAC name of 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-methylphenyl)propanamide (CID 46444293) is 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-methylphenyl)propanamide.
What is the SMILES notation for 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-methylphenyl)propanamide?
The canonical SMILES for 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-methylphenyl)propanamide is Cc1ccccc1NC(=O)C(C)N1CCCC(c2nc3ccccc3o2)C1.
What is the InChIKey of 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-methylphenyl)propanamide?
The InChIKey is DLTYDYOQNZIWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-15-8-3-4-10-18(15)23-21(26)16(2)25-13-7-9-17(14-25)22-24-19-11-5-6-12-20(19)27-22/h3-6,8,10-12,16-17H,7,9,13-14H2,1-2H3,(H,23,26).
What are the key properties of 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-methylphenyl)propanamide?
2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-methylphenyl)propanamide has a molecular weight of 363.46 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 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]-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 46444293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).