(2R)-2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one

C19H25N3O3 — CID 95592437

IUPAC(2R)-2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESC[C@H](C(=O)N1CCOCC1)N1CCC[C@H](c2nc3ccccc3o2)C1
InChIInChI=1S/C19H25N3O3/c1-14(19(23)21-9-11-24-12-10-21)22-8-4-5-15(13-22)18-20-16-6-2-3-7-17(16)25-18/h2-3,6-7,14-15H,4-5,8-13H2,1H3/t14-,15+/m1/s1
InChIKeyDTLCIGXFKDRPJD-CABCVRRESA-N
MW343.43 g/mol
LogP2.25
Rot. Bonds3

About (2R)-2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one

(2R)-2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 95592437) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is (2R)-2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID95592437
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name(2R)-2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESC[C@H](C(=O)N1CCOCC1)N1CCC[C@H](c2nc3ccccc3o2)C1
InChIInChI=1S/C19H25N3O3/c1-14(19(23)21-9-11-24-12-10-21)22-8-4-5-15(13-22)18-20-16-6-2-3-7-17(16)25-18/h2-3,6-7,14-15H,4-5,8-13H2,1H3/t14-,15+/m1/s1
InChIKeyDTLCIGXFKDRPJD-CABCVRRESA-N
XLogP2.25
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one with MolForge

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Related Compounds

2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 46402844
(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-(2,4,6-trimethylphenyl)propanamide
CID 86984007
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
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
(3S)-3-(1,3-benzoxazol-2-yl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]piperidine-1-carboxamide
CID 94031409
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 (2R)-2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of (2R)-2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one (CID 95592437) is (2R)-2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for (2R)-2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for (2R)-2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one is C[C@H](C(=O)N1CCOCC1)N1CCC[C@H](c2nc3ccccc3o2)C1.
What is the InChIKey of (2R)-2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is DTLCIGXFKDRPJD-CABCVRRESA-N. The full InChI is InChI=1S/C19H25N3O3/c1-14(19(23)21-9-11-24-12-10-21)22-8-4-5-15(13-22)18-20-16-6-2-3-7-17(16)25-18/h2-3,6-7,14-15H,4-5,8-13H2,1H3/t14-,15+/m1/s1.
What are the key properties of (2R)-2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one?
(2R)-2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 343.43 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 95592437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).