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

C20H28FN3O3 — CID 163551813

IUPACN-ethyl-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxy-2-methylpropanamide
SMILESCCN(CCN1CCC(c2noc3cc(F)ccc23)CC1)C(=O)C(C)CO
InChIInChI=1S/C20H28FN3O3/c1-3-24(20(26)14(2)13-25)11-10-23-8-6-15(7-9-23)19-17-5-4-16(21)12-18(17)27-22-19/h4-5,12,14-15,25H,3,6-11,13H2,1-2H3
InChIKeyFJSMDTWYILVAAN-UHFFFAOYSA-N
MW377.46 g/mol
LogP2.62
Rot. Bonds7

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

N-ethyl-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxy-2-methylpropanamide (PubChem CID 163551813) has the molecular formula C20H28FN3O3 and a molecular weight of 377.46 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-methylpropanamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxy-2-methylpropanamide
PubChem CID163551813
Molecular FormulaC20H28FN3O3
Molecular Weight377.46 g/mol
Exact Mass377.21
IUPAC NameN-ethyl-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxy-2-methylpropanamide
SMILESCCN(CCN1CCC(c2noc3cc(F)ccc23)CC1)C(=O)C(C)CO
InChIInChI=1S/C20H28FN3O3/c1-3-24(20(26)14(2)13-25)11-10-23-8-6-15(7-9-23)19-17-5-4-16(21)12-18(17)27-22-19/h4-5,12,14-15,25H,3,6-11,13H2,1-2H3
InChIKeyFJSMDTWYILVAAN-UHFFFAOYSA-N
XLogP2.62
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 52.62
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-methylpropanamide?
The IUPAC name of N-ethyl-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxy-2-methylpropanamide (CID 163551813) is N-ethyl-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxy-2-methylpropanamide.
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-methylpropanamide?
The canonical SMILES for N-ethyl-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxy-2-methylpropanamide is CCN(CCN1CCC(c2noc3cc(F)ccc23)CC1)C(=O)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-methylpropanamide?
The InChIKey is FJSMDTWYILVAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O3/c1-3-24(20(26)14(2)13-25)11-10-23-8-6-15(7-9-23)19-17-5-4-16(21)12-18(17)27-22-19/h4-5,12,14-15,25H,3,6-11,13H2,1-2H3.
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-methylpropanamide?
N-ethyl-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxy-2-methylpropanamide has a molecular weight of 377.46 g/mol, XLogP of 2.62, 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-methylpropanamide is sourced from PubChem (CID 163551813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).