N-[3-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidin-1-yl]-3-oxopropyl]-4-fluorobenzamide

C17H23FN2O4 — CID 70711527

IUPACN-[3-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidin-1-yl]-3-oxopropyl]-4-fluorobenzamide
SMILESCC[C@@]1(O)CCN(C(=O)CCNC(=O)c2ccc(F)cc2)C[C@H]1O
InChIInChI=1S/C17H23FN2O4/c1-2-17(24)8-10-20(11-14(17)21)15(22)7-9-19-16(23)12-3-5-13(18)6-4-12/h3-6,14,21,24H,2,7-11H2,1H3,(H,19,23)/t14-,17-/m1/s1
InChIKeyDCIAORSENBSJQC-RHSMWYFYSA-N
MW338.38 g/mol
LogP0.68
Rot. Bonds5

About N-[3-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidin-1-yl]-3-oxopropyl]-4-fluorobenzamide

N-[3-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidin-1-yl]-3-oxopropyl]-4-fluorobenzamide (PubChem CID 70711527) has the molecular formula C17H23FN2O4 and a molecular weight of 338.38 g/mol. Its IUPAC name is N-[3-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidin-1-yl]-3-oxopropyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[3-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidin-1-yl]-3-oxopropyl]-4-fluorobenzamide
PubChem CID70711527
Molecular FormulaC17H23FN2O4
Molecular Weight338.38 g/mol
Exact Mass338.16
IUPAC NameN-[3-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidin-1-yl]-3-oxopropyl]-4-fluorobenzamide
SMILESCC[C@@]1(O)CCN(C(=O)CCNC(=O)c2ccc(F)cc2)C[C@H]1O
InChIInChI=1S/C17H23FN2O4/c1-2-17(24)8-10-20(11-14(17)21)15(22)7-9-19-16(23)12-3-5-13(18)6-4-12/h3-6,14,21,24H,2,7-11H2,1H3,(H,19,23)/t14-,17-/m1/s1
InChIKeyDCIAORSENBSJQC-RHSMWYFYSA-N
XLogP0.68
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidin-1-yl]-3-oxopropyl]-4-fluorobenzamide?
The IUPAC name of N-[3-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidin-1-yl]-3-oxopropyl]-4-fluorobenzamide (CID 70711527) is N-[3-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidin-1-yl]-3-oxopropyl]-4-fluorobenzamide.
What is the SMILES notation for N-[3-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidin-1-yl]-3-oxopropyl]-4-fluorobenzamide?
The canonical SMILES for N-[3-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidin-1-yl]-3-oxopropyl]-4-fluorobenzamide is CC[C@@]1(O)CCN(C(=O)CCNC(=O)c2ccc(F)cc2)C[C@H]1O.
What is the InChIKey of N-[3-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidin-1-yl]-3-oxopropyl]-4-fluorobenzamide?
The InChIKey is DCIAORSENBSJQC-RHSMWYFYSA-N. The full InChI is InChI=1S/C17H23FN2O4/c1-2-17(24)8-10-20(11-14(17)21)15(22)7-9-19-16(23)12-3-5-13(18)6-4-12/h3-6,14,21,24H,2,7-11H2,1H3,(H,19,23)/t14-,17-/m1/s1.
What are the key properties of N-[3-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidin-1-yl]-3-oxopropyl]-4-fluorobenzamide?
N-[3-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidin-1-yl]-3-oxopropyl]-4-fluorobenzamide has a molecular weight of 338.38 g/mol, XLogP of 0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidin-1-yl]-3-oxopropyl]-4-fluorobenzamide is sourced from PubChem (CID 70711527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).