(3,3-difluoro-4-methoxypiperidin-1-yl)-imidazolidin-2-ylmethanone

C10H17F2N3O2 — CID 121265340

IUPAC(3,3-difluoro-4-methoxypiperidin-1-yl)-imidazolidin-2-ylmethanone
SMILESCOC1CCN(C(=O)C2NCCN2)CC1(F)F
InChIInChI=1S/C10H17F2N3O2/c1-17-7-2-5-15(6-10(7,11)12)9(16)8-13-3-4-14-8/h7-8,13-14H,2-6H2,1H3
InChIKeyNGHDPSMSWBBIIV-UHFFFAOYSA-N
MW249.26 g/mol
LogP-0.61
Rot. Bonds2

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

(3,3-difluoro-4-methoxypiperidin-1-yl)-imidazolidin-2-ylmethanone (PubChem CID 121265340) has the molecular formula C10H17F2N3O2 and a molecular weight of 249.26 g/mol. Its IUPAC name is (3,3-difluoro-4-methoxypiperidin-1-yl)-imidazolidin-2-ylmethanone.

Molecular Properties

Compound Name(3,3-difluoro-4-methoxypiperidin-1-yl)-imidazolidin-2-ylmethanone
PubChem CID121265340
Molecular FormulaC10H17F2N3O2
Molecular Weight249.26 g/mol
Exact Mass249.13
IUPAC Name(3,3-difluoro-4-methoxypiperidin-1-yl)-imidazolidin-2-ylmethanone
SMILESCOC1CCN(C(=O)C2NCCN2)CC1(F)F
InChIInChI=1S/C10H17F2N3O2/c1-17-7-2-5-15(6-10(7,11)12)9(16)8-13-3-4-14-8/h7-8,13-14H,2-6H2,1H3
InChIKeyNGHDPSMSWBBIIV-UHFFFAOYSA-N
XLogP-0.61
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-ethyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 53599054
N-(3-methoxypropyl)-2-[4-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]acetamide
CID 72043795
2-[4-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 72044074
[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
[(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-[bis(aminomethyl)amino]-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]ethanone
CID 121265315
(2,3-dimethylimidazolidin-4-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone
CID 121265316

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoro-4-methoxypiperidin-1-yl)-imidazolidin-2-ylmethanone?
The IUPAC name of (3,3-difluoro-4-methoxypiperidin-1-yl)-imidazolidin-2-ylmethanone (CID 121265340) is (3,3-difluoro-4-methoxypiperidin-1-yl)-imidazolidin-2-ylmethanone.
What is the SMILES notation for (3,3-difluoro-4-methoxypiperidin-1-yl)-imidazolidin-2-ylmethanone?
The canonical SMILES for (3,3-difluoro-4-methoxypiperidin-1-yl)-imidazolidin-2-ylmethanone is COC1CCN(C(=O)C2NCCN2)CC1(F)F.
What is the InChIKey of (3,3-difluoro-4-methoxypiperidin-1-yl)-imidazolidin-2-ylmethanone?
The InChIKey is NGHDPSMSWBBIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N3O2/c1-17-7-2-5-15(6-10(7,11)12)9(16)8-13-3-4-14-8/h7-8,13-14H,2-6H2,1H3.
What are the key properties of (3,3-difluoro-4-methoxypiperidin-1-yl)-imidazolidin-2-ylmethanone?
(3,3-difluoro-4-methoxypiperidin-1-yl)-imidazolidin-2-ylmethanone has a molecular weight of 249.26 g/mol, XLogP of -0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoro-4-methoxypiperidin-1-yl)-imidazolidin-2-ylmethanone is sourced from PubChem (CID 121265340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).