(6-aminopiperazin-2-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone

C13H25FN4O2 — CID 140709129

IUPAC(6-aminopiperazin-2-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone
SMILESCC(C)O[C@H]1CCN(C(=O)C2CNCC(N)N2)C[C@H]1F
InChIInChI=1S/C13H25FN4O2/c1-8(2)20-11-3-4-18(7-9(11)14)13(19)10-5-16-6-12(15)17-10/h8-12,16-17H,3-7,15H2,1-2H3/t9-,10?,11+,12?/m1/s1
InChIKeyAZSWZZILQPGFIZ-ZYGVAYEYSA-N
MW288.37 g/mol
LogP-0.80
Rot. Bonds3

About (6-aminopiperazin-2-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone

(6-aminopiperazin-2-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone (PubChem CID 140709129) has the molecular formula C13H25FN4O2 and a molecular weight of 288.37 g/mol. Its IUPAC name is (6-aminopiperazin-2-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-aminopiperazin-2-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone
PubChem CID140709129
Molecular FormulaC13H25FN4O2
Molecular Weight288.37 g/mol
Exact Mass288.20
IUPAC Name(6-aminopiperazin-2-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone
SMILESCC(C)O[C@H]1CCN(C(=O)C2CNCC(N)N2)C[C@H]1F
InChIInChI=1S/C13H25FN4O2/c1-8(2)20-11-3-4-18(7-9(11)14)13(19)10-5-16-6-12(15)17-10/h8-12,16-17H,3-7,15H2,1-2H3/t9-,10?,11+,12?/m1/s1
InChIKeyAZSWZZILQPGFIZ-ZYGVAYEYSA-N
XLogP-0.80
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (6-aminopiperazin-2-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone with MolForge

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Related Compounds

(3,5-dimethylpyrazolidin-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone
CID 138525351
1-[(3S,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone
CID 121261768
(4-amino-5-cyclooctylpyrazolidin-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone
CID 138525335
(1-cycloheptylpyrazolidin-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone
CID 135291751
(5-aminopyrazin-2-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone
CID 121261843
(3-aminopiperidin-4-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone
CID 139353797
(4S)-4-[(3R,4S)-3-fluoro-4-methoxypiperidine-1-carbonyl]-1,3-oxazolidin-2-one
CID 121265392
(5R)-5-[(3R)-3-fluoro-4-methoxypiperidine-1-carbonyl]pyrrolidin-2-one
CID 121265380
[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-(3-methylimidazolidin-4-yl)methanone
CID 121265296
[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-pyrimidin-4-ylmethanone
CID 121261823
azetidin-3-yl-(3-fluoro-4-methylpiperidin-1-yl)methanone;hydrochloride
CID 130747930
[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-pyrazolidin-3-ylmethanone;molecular hydrogen;propane
CID 145052579

Frequently Asked Questions

What is the IUPAC name of (6-aminopiperazin-2-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone?
The IUPAC name of (6-aminopiperazin-2-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone (CID 140709129) is (6-aminopiperazin-2-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone.
What is the SMILES notation for (6-aminopiperazin-2-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone?
The canonical SMILES for (6-aminopiperazin-2-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone is CC(C)O[C@H]1CCN(C(=O)C2CNCC(N)N2)C[C@H]1F.
What is the InChIKey of (6-aminopiperazin-2-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone?
The InChIKey is AZSWZZILQPGFIZ-ZYGVAYEYSA-N. The full InChI is InChI=1S/C13H25FN4O2/c1-8(2)20-11-3-4-18(7-9(11)14)13(19)10-5-16-6-12(15)17-10/h8-12,16-17H,3-7,15H2,1-2H3/t9-,10?,11+,12?/m1/s1.
What are the key properties of (6-aminopiperazin-2-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone?
(6-aminopiperazin-2-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone has a molecular weight of 288.37 g/mol, XLogP of -0.80, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-aminopiperazin-2-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone is sourced from PubChem (CID 140709129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).