(3S)-3-hydroxy-3-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]-1-(2-phenylethyl)piperidin-2-one

C19H25N3O3 — CID 95200644

IUPAC(3S)-3-hydroxy-3-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]-1-(2-phenylethyl)piperidin-2-one
SMILESCc1cc(CNC[C@@]2(O)CCCN(CCc3ccccc3)C2=O)on1
InChIInChI=1S/C19H25N3O3/c1-15-12-17(25-21-15)13-20-14-19(24)9-5-10-22(18(19)23)11-8-16-6-3-2-4-7-16/h2-4,6-7,12,20,24H,5,8-11,13-14H2,1H3/t19-/m0/s1
InChIKeyYQERAACRESLVOF-IBGZPJMESA-N
MW343.43 g/mol
LogP1.67
Rot. Bonds7

About (3S)-3-hydroxy-3-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]-1-(2-phenylethyl)piperidin-2-one

(3S)-3-hydroxy-3-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]-1-(2-phenylethyl)piperidin-2-one (PubChem CID 95200644) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is (3S)-3-hydroxy-3-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]-1-(2-phenylethyl)piperidin-2-one.

Molecular Properties

Compound Name(3S)-3-hydroxy-3-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]-1-(2-phenylethyl)piperidin-2-one
PubChem CID95200644
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name(3S)-3-hydroxy-3-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]-1-(2-phenylethyl)piperidin-2-one
SMILESCc1cc(CNC[C@@]2(O)CCCN(CCc3ccccc3)C2=O)on1
InChIInChI=1S/C19H25N3O3/c1-15-12-17(25-21-15)13-20-14-19(24)9-5-10-22(18(19)23)11-8-16-6-3-2-4-7-16/h2-4,6-7,12,20,24H,5,8-11,13-14H2,1H3/t19-/m0/s1
InChIKeyYQERAACRESLVOF-IBGZPJMESA-N
XLogP1.67
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-3-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]-1-(2-phenylethyl)piperidin-2-one?
The IUPAC name of (3S)-3-hydroxy-3-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]-1-(2-phenylethyl)piperidin-2-one (CID 95200644) is (3S)-3-hydroxy-3-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]-1-(2-phenylethyl)piperidin-2-one.
What is the SMILES notation for (3S)-3-hydroxy-3-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]-1-(2-phenylethyl)piperidin-2-one?
The canonical SMILES for (3S)-3-hydroxy-3-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]-1-(2-phenylethyl)piperidin-2-one is Cc1cc(CNC[C@@]2(O)CCCN(CCc3ccccc3)C2=O)on1.
What is the InChIKey of (3S)-3-hydroxy-3-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]-1-(2-phenylethyl)piperidin-2-one?
The InChIKey is YQERAACRESLVOF-IBGZPJMESA-N. The full InChI is InChI=1S/C19H25N3O3/c1-15-12-17(25-21-15)13-20-14-19(24)9-5-10-22(18(19)23)11-8-16-6-3-2-4-7-16/h2-4,6-7,12,20,24H,5,8-11,13-14H2,1H3/t19-/m0/s1.
What are the key properties of (3S)-3-hydroxy-3-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]-1-(2-phenylethyl)piperidin-2-one?
(3S)-3-hydroxy-3-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]-1-(2-phenylethyl)piperidin-2-one has a molecular weight of 343.43 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-3-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]-1-(2-phenylethyl)piperidin-2-one is sourced from PubChem (CID 95200644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).