[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-[(2R,3R)-2-propan-2-yloxan-3-yl]methanone

C18H26FN3O2 — CID 129492508

IUPAC[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-[(2R,3R)-2-propan-2-yloxan-3-yl]methanone
SMILESCC(C)[C@H]1OCCC[C@H]1C(=O)N1CCN(c2ncccc2F)CC1
InChIInChI=1S/C18H26FN3O2/c1-13(2)16-14(5-4-12-24-16)18(23)22-10-8-21(9-11-22)17-15(19)6-3-7-20-17/h3,6-7,13-14,16H,4-5,8-12H2,1-2H3/t14-,16-/m1/s1
InChIKeyOITGKJGQDJWCJO-GDBMZVCRSA-N
MW335.42 g/mol
LogP2.32
Rot. Bonds3

About [4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-[(2R,3R)-2-propan-2-yloxan-3-yl]methanone

[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-[(2R,3R)-2-propan-2-yloxan-3-yl]methanone (PubChem CID 129492508) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is [4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-[(2R,3R)-2-propan-2-yloxan-3-yl]methanone.

Molecular Properties

Compound Name[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-[(2R,3R)-2-propan-2-yloxan-3-yl]methanone
PubChem CID129492508
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC Name[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-[(2R,3R)-2-propan-2-yloxan-3-yl]methanone
SMILESCC(C)[C@H]1OCCC[C@H]1C(=O)N1CCN(c2ncccc2F)CC1
InChIInChI=1S/C18H26FN3O2/c1-13(2)16-14(5-4-12-24-16)18(23)22-10-8-21(9-11-22)17-15(19)6-3-7-20-17/h3,6-7,13-14,16H,4-5,8-12H2,1-2H3/t14-,16-/m1/s1
InChIKeyOITGKJGQDJWCJO-GDBMZVCRSA-N
XLogP2.32
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-[(2R,3R)-2-propan-2-yloxan-3-yl]methanone with MolForge

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Related Compounds

2-[4-(2-propan-2-yloxane-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 129008465
[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 172900126
4-(3-fluoro-2-pyridinyl)-N-(1-pyridin-2-ylethyl)piperazine-1-carboxamide
CID 146123535
(2R,3R)-N-(3-hydroxy-2-pyridinyl)-2-propan-2-yloxane-3-carboxamide
CID 129492775
[1-(3-fluoro-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 89487945
tert-butyl 4-(3-fluoro-2-pyridinyl)-1,4-diazepane-1-carboxylate
CID 171323898
1-[4-(3-fluoro-2-pyridinyl)morpholin-2-yl]ethanamine
CID 115315766
1-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-3-phenylbutan-1-one
CID 84586134
[(2R,3R)-2-ethyloxan-3-yl]-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 129479295
[4-(2-fluorophenyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 40572583
methyl 1-(3-fluoro-2-pyridinyl)piperidine-3-carboxylate
CID 115538419
[(2S,3S)-2-ethyloxan-3-yl]-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 129479414

Frequently Asked Questions

What is the IUPAC name of [4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-[(2R,3R)-2-propan-2-yloxan-3-yl]methanone?
The IUPAC name of [4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-[(2R,3R)-2-propan-2-yloxan-3-yl]methanone (CID 129492508) is [4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-[(2R,3R)-2-propan-2-yloxan-3-yl]methanone.
What is the SMILES notation for [4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-[(2R,3R)-2-propan-2-yloxan-3-yl]methanone?
The canonical SMILES for [4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-[(2R,3R)-2-propan-2-yloxan-3-yl]methanone is CC(C)[C@H]1OCCC[C@H]1C(=O)N1CCN(c2ncccc2F)CC1.
What is the InChIKey of [4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-[(2R,3R)-2-propan-2-yloxan-3-yl]methanone?
The InChIKey is OITGKJGQDJWCJO-GDBMZVCRSA-N. The full InChI is InChI=1S/C18H26FN3O2/c1-13(2)16-14(5-4-12-24-16)18(23)22-10-8-21(9-11-22)17-15(19)6-3-7-20-17/h3,6-7,13-14,16H,4-5,8-12H2,1-2H3/t14-,16-/m1/s1.
What are the key properties of [4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-[(2R,3R)-2-propan-2-yloxan-3-yl]methanone?
[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-[(2R,3R)-2-propan-2-yloxan-3-yl]methanone has a molecular weight of 335.42 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-[(2R,3R)-2-propan-2-yloxan-3-yl]methanone is sourced from PubChem (CID 129492508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).