(3-fluoro-4-methoxypiperidin-1-yl)-imidazolidin-2-ylmethanone

C10H18FN3O2 — CID 139353499

IUPAC(3-fluoro-4-methoxypiperidin-1-yl)-imidazolidin-2-ylmethanone
SMILESCOC1CCN(C(=O)C2NCCN2)CC1F
InChIInChI=1S/C10H18FN3O2/c1-16-8-2-5-14(6-7(8)11)10(15)9-12-3-4-13-9/h7-9,12-13H,2-6H2,1H3
InChIKeyJAHSYJANOOTXEQ-UHFFFAOYSA-N
MW231.27 g/mol
LogP-0.91
Rot. Bonds2

About (3-fluoro-4-methoxypiperidin-1-yl)-imidazolidin-2-ylmethanone

(3-fluoro-4-methoxypiperidin-1-yl)-imidazolidin-2-ylmethanone (PubChem CID 139353499) has the molecular formula C10H18FN3O2 and a molecular weight of 231.27 g/mol. Its IUPAC name is (3-fluoro-4-methoxypiperidin-1-yl)-imidazolidin-2-ylmethanone.

Molecular Properties

Compound Name(3-fluoro-4-methoxypiperidin-1-yl)-imidazolidin-2-ylmethanone
PubChem CID139353499
Molecular FormulaC10H18FN3O2
Molecular Weight231.27 g/mol
Exact Mass231.14
IUPAC Name(3-fluoro-4-methoxypiperidin-1-yl)-imidazolidin-2-ylmethanone
SMILESCOC1CCN(C(=O)C2NCCN2)CC1F
InChIInChI=1S/C10H18FN3O2/c1-16-8-2-5-14(6-7(8)11)10(15)9-12-3-4-13-9/h7-9,12-13H,2-6H2,1H3
InChIKeyJAHSYJANOOTXEQ-UHFFFAOYSA-N
XLogP-0.91
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxypiperidin-1-yl)-imidazolidin-2-ylmethanone?
The IUPAC name of (3-fluoro-4-methoxypiperidin-1-yl)-imidazolidin-2-ylmethanone (CID 139353499) is (3-fluoro-4-methoxypiperidin-1-yl)-imidazolidin-2-ylmethanone.
What is the SMILES notation for (3-fluoro-4-methoxypiperidin-1-yl)-imidazolidin-2-ylmethanone?
The canonical SMILES for (3-fluoro-4-methoxypiperidin-1-yl)-imidazolidin-2-ylmethanone is COC1CCN(C(=O)C2NCCN2)CC1F.
What is the InChIKey of (3-fluoro-4-methoxypiperidin-1-yl)-imidazolidin-2-ylmethanone?
The InChIKey is JAHSYJANOOTXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN3O2/c1-16-8-2-5-14(6-7(8)11)10(15)9-12-3-4-13-9/h7-9,12-13H,2-6H2,1H3.
What are the key properties of (3-fluoro-4-methoxypiperidin-1-yl)-imidazolidin-2-ylmethanone?
(3-fluoro-4-methoxypiperidin-1-yl)-imidazolidin-2-ylmethanone has a molecular weight of 231.27 g/mol, XLogP of -0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxypiperidin-1-yl)-imidazolidin-2-ylmethanone is sourced from PubChem (CID 139353499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).