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

C19H26FN3O3 — CID 156540499

IUPACN-ethyl-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxypropanamide
SMILESCCN(CCN1CCC(c2noc3cc(F)ccc23)CC1)C(=O)CCO
InChIInChI=1S/C19H26FN3O3/c1-2-23(18(25)7-12-24)11-10-22-8-5-14(6-9-22)19-16-4-3-15(20)13-17(16)26-21-19/h3-4,13-14,24H,2,5-12H2,1H3
InChIKeyAPSSHASNQVGROU-UHFFFAOYSA-N
MW363.43 g/mol
LogP2.38
Rot. Bonds7

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

N-ethyl-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxypropanamide (PubChem CID 156540499) has the molecular formula C19H26FN3O3 and a molecular weight of 363.43 g/mol. Its IUPAC name is N-ethyl-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxypropanamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxypropanamide
PubChem CID156540499
Molecular FormulaC19H26FN3O3
Molecular Weight363.43 g/mol
Exact Mass363.20
IUPAC NameN-ethyl-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxypropanamide
SMILESCCN(CCN1CCC(c2noc3cc(F)ccc23)CC1)C(=O)CCO
InChIInChI=1S/C19H26FN3O3/c1-2-23(18(25)7-12-24)11-10-22-8-5-14(6-9-22)19-16-4-3-15(20)13-17(16)26-21-19/h3-4,13-14,24H,2,5-12H2,1H3
InChIKeyAPSSHASNQVGROU-UHFFFAOYSA-N
XLogP2.38
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 52.38
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-hydroxypropanamide?
The IUPAC name of N-ethyl-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxypropanamide (CID 156540499) is N-ethyl-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxypropanamide.
What is the SMILES notation for N-ethyl-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxypropanamide?
The canonical SMILES for N-ethyl-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxypropanamide is CCN(CCN1CCC(c2noc3cc(F)ccc23)CC1)C(=O)CCO.
What is the InChIKey of N-ethyl-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxypropanamide?
The InChIKey is APSSHASNQVGROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O3/c1-2-23(18(25)7-12-24)11-10-22-8-5-14(6-9-22)19-16-4-3-15(20)13-17(16)26-21-19/h3-4,13-14,24H,2,5-12H2,1H3.
What are the key properties of N-ethyl-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxypropanamide?
N-ethyl-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxypropanamide has a molecular weight of 363.43 g/mol, XLogP of 2.38, 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-hydroxypropanamide is sourced from PubChem (CID 156540499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).