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

C17H22N4O3 — CID 31987220

IUPAC(2R)-2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)[C@@H](C)N1CCC[C@@H](c2nc3ccccc3o2)C1
InChIInChI=1S/C17H22N4O3/c1-11(15(22)20-17(23)18-2)21-9-5-6-12(10-21)16-19-13-7-3-4-8-14(13)24-16/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3,(H2,18,20,22,23)/t11-,12-/m1/s1
InChIKeyLUHGAAMXAWCAGW-VXGBXAGGSA-N
MW330.39 g/mol
LogP1.85
Rot. Bonds3

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

(2R)-2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide (PubChem CID 31987220) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is (2R)-2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
PubChem CID31987220
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name(2R)-2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)[C@@H](C)N1CCC[C@@H](c2nc3ccccc3o2)C1
InChIInChI=1S/C17H22N4O3/c1-11(15(22)20-17(23)18-2)21-9-5-6-12(10-21)16-19-13-7-3-4-8-14(13)24-16/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3,(H2,18,20,22,23)/t11-,12-/m1/s1
InChIKeyLUHGAAMXAWCAGW-VXGBXAGGSA-N
XLogP1.85
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
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
2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 46402789
(2S)-2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-phenylacetamide
CID 94110566
(3S)-3-(1,3-benzoxazol-2-yl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]piperidine-1-carboxamide
CID 94031409
2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylpropanamide
CID 78870807

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide?
The IUPAC name of (2R)-2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide (CID 31987220) is (2R)-2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for (2R)-2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for (2R)-2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)[C@@H](C)N1CCC[C@@H](c2nc3ccccc3o2)C1.
What is the InChIKey of (2R)-2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide?
The InChIKey is LUHGAAMXAWCAGW-VXGBXAGGSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-11(15(22)20-17(23)18-2)21-9-5-6-12(10-21)16-19-13-7-3-4-8-14(13)24-16/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3,(H2,18,20,22,23)/t11-,12-/m1/s1.
What are the key properties of (2R)-2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide?
(2R)-2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide has a molecular weight of 330.39 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 31987220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).