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

C20H28FN3O3 — CID 156552394

IUPACN-ethyl-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxybutanamide
SMILESCCN(CCN1CCC(c2noc3cc(F)ccc23)CC1)C(=O)CC(C)O
InChIInChI=1S/C20H28FN3O3/c1-3-24(19(26)12-14(2)25)11-10-23-8-6-15(7-9-23)20-17-5-4-16(21)13-18(17)27-22-20/h4-5,13-15,25H,3,6-12H2,1-2H3
InChIKeyADHQMOBSCUKLBQ-UHFFFAOYSA-N
MW377.46 g/mol
LogP2.77
Rot. Bonds7

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

N-ethyl-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxybutanamide (PubChem CID 156552394) 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-hydroxybutanamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxybutanamide
PubChem CID156552394
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-hydroxybutanamide
SMILESCCN(CCN1CCC(c2noc3cc(F)ccc23)CC1)C(=O)CC(C)O
InChIInChI=1S/C20H28FN3O3/c1-3-24(19(26)12-14(2)25)11-10-23-8-6-15(7-9-23)20-17-5-4-16(21)13-18(17)27-22-20/h4-5,13-15,25H,3,6-12H2,1-2H3
InChIKeyADHQMOBSCUKLBQ-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
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-hydroxybutanamide?
The IUPAC name of N-ethyl-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxybutanamide (CID 156552394) is N-ethyl-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxybutanamide.
What is the SMILES notation for N-ethyl-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxybutanamide?
The canonical SMILES for N-ethyl-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxybutanamide is CCN(CCN1CCC(c2noc3cc(F)ccc23)CC1)C(=O)CC(C)O.
What is the InChIKey of N-ethyl-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxybutanamide?
The InChIKey is ADHQMOBSCUKLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O3/c1-3-24(19(26)12-14(2)25)11-10-23-8-6-15(7-9-23)20-17-5-4-16(21)13-18(17)27-22-20/h4-5,13-15,25H,3,6-12H2,1-2H3.
What are the key properties of N-ethyl-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxybutanamide?
N-ethyl-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxybutanamide has a molecular weight of 377.46 g/mol, XLogP of 2.77, 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-hydroxybutanamide is sourced from PubChem (CID 156552394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).