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

C19H34FN3O2 — CID 135291751

IUPAC(1-cycloheptylpyrazolidin-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone
SMILESCC(C)O[C@H]1CCN(C(=O)C2CNN(C3CCCCCC3)C2)C[C@H]1F
InChIInChI=1S/C19H34FN3O2/c1-14(2)25-18-9-10-22(13-17(18)20)19(24)15-11-21-23(12-15)16-7-5-3-4-6-8-16/h14-18,21H,3-13H2,1-2H3/t15?,17-,18+/m1/s1
InChIKeyXBYVPIKRTIQZMK-KVJCIMDZSA-N
MW355.50 g/mol
LogP2.51
Rot. Bonds4

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

(1-cycloheptylpyrazolidin-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone (PubChem CID 135291751) has the molecular formula C19H34FN3O2 and a molecular weight of 355.50 g/mol. Its IUPAC name is (1-cycloheptylpyrazolidin-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-cycloheptylpyrazolidin-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone
PubChem CID135291751
Molecular FormulaC19H34FN3O2
Molecular Weight355.50 g/mol
Exact Mass355.26
IUPAC Name(1-cycloheptylpyrazolidin-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone
SMILESCC(C)O[C@H]1CCN(C(=O)C2CNN(C3CCCCCC3)C2)C[C@H]1F
InChIInChI=1S/C19H34FN3O2/c1-14(2)25-18-9-10-22(13-17(18)20)19(24)15-11-21-23(12-15)16-7-5-3-4-6-8-16/h14-18,21H,3-13H2,1-2H3/t15?,17-,18+/m1/s1
InChIKeyXBYVPIKRTIQZMK-KVJCIMDZSA-N
XLogP2.51
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethylpyrazolidin-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone
CID 138525351
(6-aminopiperazin-2-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone
CID 140709129
(4-amino-5-cyclooctylpyrazolidin-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone
CID 138525335
1-[(3S,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone
CID 121261768
(5-aminopyrazin-2-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone
CID 121261843
cycloheptyl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155764605
cyclobutyl-(4-propan-2-yloxypiperidin-1-yl)methanone
CID 110725421
[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-pyrimidin-4-ylmethanone
CID 121261823
cyclooctyl-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112627515
(1-cyclononyl-1,2,4-triazolidin-3-yl)-[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]methanone
CID 135291674
[3-(1-aminoethyl)pyrrolidin-1-yl]-cyclooctylmethanone
CID 112630786
[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-(3-methylimidazolidin-4-yl)methanone
CID 121265296

Frequently Asked Questions

What is the IUPAC name of (1-cycloheptylpyrazolidin-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone?
The IUPAC name of (1-cycloheptylpyrazolidin-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone (CID 135291751) is (1-cycloheptylpyrazolidin-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone.
What is the SMILES notation for (1-cycloheptylpyrazolidin-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone?
The canonical SMILES for (1-cycloheptylpyrazolidin-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone is CC(C)O[C@H]1CCN(C(=O)C2CNN(C3CCCCCC3)C2)C[C@H]1F.
What is the InChIKey of (1-cycloheptylpyrazolidin-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone?
The InChIKey is XBYVPIKRTIQZMK-KVJCIMDZSA-N. The full InChI is InChI=1S/C19H34FN3O2/c1-14(2)25-18-9-10-22(13-17(18)20)19(24)15-11-21-23(12-15)16-7-5-3-4-6-8-16/h14-18,21H,3-13H2,1-2H3/t15?,17-,18+/m1/s1.
What are the key properties of (1-cycloheptylpyrazolidin-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone?
(1-cycloheptylpyrazolidin-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone has a molecular weight of 355.50 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cycloheptylpyrazolidin-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone is sourced from PubChem (CID 135291751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).