(4-ethoxy-3,3-difluoropiperidin-1-yl)-imidazolidin-2-ylmethanone

C11H19F2N3O2 — CID 135291758

IUPAC(4-ethoxy-3,3-difluoropiperidin-1-yl)-imidazolidin-2-ylmethanone
SMILESCCOC1CCN(C(=O)C2NCCN2)CC1(F)F
InChIInChI=1S/C11H19F2N3O2/c1-2-18-8-3-6-16(7-11(8,12)13)10(17)9-14-4-5-15-9/h8-9,14-15H,2-7H2,1H3
InChIKeySJJNNJTXJLRRPT-UHFFFAOYSA-N
MW263.29 g/mol
LogP-0.22
Rot. Bonds3

About (4-ethoxy-3,3-difluoropiperidin-1-yl)-imidazolidin-2-ylmethanone

(4-ethoxy-3,3-difluoropiperidin-1-yl)-imidazolidin-2-ylmethanone (PubChem CID 135291758) has the molecular formula C11H19F2N3O2 and a molecular weight of 263.29 g/mol. Its IUPAC name is (4-ethoxy-3,3-difluoropiperidin-1-yl)-imidazolidin-2-ylmethanone.

Molecular Properties

Compound Name(4-ethoxy-3,3-difluoropiperidin-1-yl)-imidazolidin-2-ylmethanone
PubChem CID135291758
Molecular FormulaC11H19F2N3O2
Molecular Weight263.29 g/mol
Exact Mass263.14
IUPAC Name(4-ethoxy-3,3-difluoropiperidin-1-yl)-imidazolidin-2-ylmethanone
SMILESCCOC1CCN(C(=O)C2NCCN2)CC1(F)F
InChIInChI=1S/C11H19F2N3O2/c1-2-18-8-3-6-16(7-11(8,12)13)10(17)9-14-4-5-15-9/h8-9,14-15H,2-7H2,1H3
InChIKeySJJNNJTXJLRRPT-UHFFFAOYSA-N
XLogP-0.22
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 72142244
[3,3-Difluoro-1-(imidazolidine-2-carbonyl)piperidin-4-yl] hypoiodite
CID 121246895
(2,5-dimethylimidazolidin-4-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone
CID 121247093
[(2R)-4,4-difluoropyrrolidin-2-yl]-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone
CID 121261821
[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-imidazolidin-4-ylmethanone
CID 121265233
[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-imidazolidin-2-ylmethanone
CID 121265289
2-amino-2-(aminomethylamino)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]ethanone
CID 121265293
2-amino-2-(1-aminoethylamino)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]ethanone
CID 121265295
[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-(3-methylimidazolidin-4-yl)methanone
CID 121265296
(2,3-dimethylimidazolidin-4-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone
CID 121265316
(3,3-Difluoro-4-methoxypiperidin-1-yl)-imidazolidin-2-ylmethanone
CID 121265340
[(4S)-3,3-difluoro-4-methoxypiperidin-1-yl]-imidazolidin-4-ylmethanone
CID 121265351

Frequently Asked Questions

What is the IUPAC name of (4-ethoxy-3,3-difluoropiperidin-1-yl)-imidazolidin-2-ylmethanone?
The IUPAC name of (4-ethoxy-3,3-difluoropiperidin-1-yl)-imidazolidin-2-ylmethanone (CID 135291758) is (4-ethoxy-3,3-difluoropiperidin-1-yl)-imidazolidin-2-ylmethanone.
What is the SMILES notation for (4-ethoxy-3,3-difluoropiperidin-1-yl)-imidazolidin-2-ylmethanone?
The canonical SMILES for (4-ethoxy-3,3-difluoropiperidin-1-yl)-imidazolidin-2-ylmethanone is CCOC1CCN(C(=O)C2NCCN2)CC1(F)F.
What is the InChIKey of (4-ethoxy-3,3-difluoropiperidin-1-yl)-imidazolidin-2-ylmethanone?
The InChIKey is SJJNNJTXJLRRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N3O2/c1-2-18-8-3-6-16(7-11(8,12)13)10(17)9-14-4-5-15-9/h8-9,14-15H,2-7H2,1H3.
What are the key properties of (4-ethoxy-3,3-difluoropiperidin-1-yl)-imidazolidin-2-ylmethanone?
(4-ethoxy-3,3-difluoropiperidin-1-yl)-imidazolidin-2-ylmethanone has a molecular weight of 263.29 g/mol, XLogP of -0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxy-3,3-difluoropiperidin-1-yl)-imidazolidin-2-ylmethanone is sourced from PubChem (CID 135291758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).