1-[4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-2-morpholin-4-ylethanone

C19H26FN3O2 — CID 71979109

IUPAC1-[4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)N1CCN(C2CCc3ccc(F)cc32)CC1
InChIInChI=1S/C19H26FN3O2/c20-16-3-1-15-2-4-18(17(15)13-16)22-5-7-23(8-6-22)19(24)14-21-9-11-25-12-10-21/h1,3,13,18H,2,4-12,14H2
InChIKeyNUNAXLMUXAHZSJ-UHFFFAOYSA-N
MW347.43 g/mol
LogP1.29
Rot. Bonds3

About 1-[4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-2-morpholin-4-ylethanone

1-[4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 71979109) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is 1-[4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-2-morpholin-4-ylethanone
PubChem CID71979109
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC Name1-[4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)N1CCN(C2CCc3ccc(F)cc32)CC1
InChIInChI=1S/C19H26FN3O2/c20-16-3-1-15-2-4-18(17(15)13-16)22-5-7-23(8-6-22)19(24)14-21-9-11-25-12-10-21/h1,3,13,18H,2,4-12,14H2
InChIKeyNUNAXLMUXAHZSJ-UHFFFAOYSA-N
XLogP1.29
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-2-morpholin-4-ylethanone (CID 71979109) is 1-[4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-2-morpholin-4-ylethanone is O=C(CN1CCOCC1)N1CCN(C2CCc3ccc(F)cc32)CC1.
What is the InChIKey of 1-[4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is NUNAXLMUXAHZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2/c20-16-3-1-15-2-4-18(17(15)13-16)22-5-7-23(8-6-22)19(24)14-21-9-11-25-12-10-21/h1,3,13,18H,2,4-12,14H2.
What are the key properties of 1-[4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-2-morpholin-4-ylethanone?
1-[4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 347.43 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 71979109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).