N-ethyl-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxy-2,2-dimethylpropanamide

C21H30FN3O3 — CID 156552393

IUPACN-ethyl-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxy-2,2-dimethylpropanamide
SMILESCCN(CCN1CCC(c2noc3cc(F)ccc23)CC1)C(=O)C(C)(C)CO
InChIInChI=1S/C21H30FN3O3/c1-4-25(20(27)21(2,3)14-26)12-11-24-9-7-15(8-10-24)19-17-6-5-16(22)13-18(17)28-23-19/h5-6,13,15,26H,4,7-12,14H2,1-3H3
InChIKeyVUIPRPLRHSZXDX-UHFFFAOYSA-N
MW391.49 g/mol
LogP3.01
Rot. Bonds7

About N-ethyl-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxy-2,2-dimethylpropanamide

N-ethyl-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxy-2,2-dimethylpropanamide (PubChem CID 156552393) has the molecular formula C21H30FN3O3 and a molecular weight of 391.49 g/mol. Its IUPAC name is N-ethyl-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxy-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxy-2,2-dimethylpropanamide
PubChem CID156552393
Molecular FormulaC21H30FN3O3
Molecular Weight391.49 g/mol
Exact Mass391.23
IUPAC NameN-ethyl-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxy-2,2-dimethylpropanamide
SMILESCCN(CCN1CCC(c2noc3cc(F)ccc23)CC1)C(=O)C(C)(C)CO
InChIInChI=1S/C21H30FN3O3/c1-4-25(20(27)21(2,3)14-26)12-11-24-9-7-15(8-10-24)19-17-6-5-16(22)13-18(17)28-23-19/h5-6,13,15,26H,4,7-12,14H2,1-3H3
InChIKeyVUIPRPLRHSZXDX-UHFFFAOYSA-N
XLogP3.01
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxy-2,2-dimethylpropanamide?
The IUPAC name of N-ethyl-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxy-2,2-dimethylpropanamide (CID 156552393) is N-ethyl-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxy-2,2-dimethylpropanamide.
What is the SMILES notation for N-ethyl-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxy-2,2-dimethylpropanamide?
The canonical SMILES for N-ethyl-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxy-2,2-dimethylpropanamide is CCN(CCN1CCC(c2noc3cc(F)ccc23)CC1)C(=O)C(C)(C)CO.
What is the InChIKey of N-ethyl-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxy-2,2-dimethylpropanamide?
The InChIKey is VUIPRPLRHSZXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FN3O3/c1-4-25(20(27)21(2,3)14-26)12-11-24-9-7-15(8-10-24)19-17-6-5-16(22)13-18(17)28-23-19/h5-6,13,15,26H,4,7-12,14H2,1-3H3.
What are the key properties of N-ethyl-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxy-2,2-dimethylpropanamide?
N-ethyl-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxy-2,2-dimethylpropanamide has a molecular weight of 391.49 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxy-2,2-dimethylpropanamide is sourced from PubChem (CID 156552393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).