[(2R,4S)-4-fluoropyrrolidin-2-yl]-piperazin-1-ylmethanone

C9H16FN3O — CID 130978967

IUPAC[(2R,4S)-4-fluoropyrrolidin-2-yl]-piperazin-1-ylmethanone
SMILESO=C([C@H]1C[C@H](F)CN1)N1CCNCC1
InChIInChI=1S/C9H16FN3O/c10-7-5-8(12-6-7)9(14)13-3-1-11-2-4-13/h7-8,11-12H,1-6H2/t7-,8+/m0/s1
InChIKeyHXGHMTHKZTYSCL-JGVFFNPUSA-N
MW201.24 g/mol
LogP-0.88
Rot. Bonds1

About [(2R,4S)-4-fluoropyrrolidin-2-yl]-piperazin-1-ylmethanone

[(2R,4S)-4-fluoropyrrolidin-2-yl]-piperazin-1-ylmethanone (PubChem CID 130978967) has the molecular formula C9H16FN3O and a molecular weight of 201.24 g/mol. Its IUPAC name is [(2R,4S)-4-fluoropyrrolidin-2-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[(2R,4S)-4-fluoropyrrolidin-2-yl]-piperazin-1-ylmethanone
PubChem CID130978967
Molecular FormulaC9H16FN3O
Molecular Weight201.24 g/mol
Exact Mass201.13
IUPAC Name[(2R,4S)-4-fluoropyrrolidin-2-yl]-piperazin-1-ylmethanone
SMILESO=C([C@H]1C[C@H](F)CN1)N1CCNCC1
InChIInChI=1S/C9H16FN3O/c10-7-5-8(12-6-7)9(14)13-3-1-11-2-4-13/h7-8,11-12H,1-6H2/t7-,8+/m0/s1
InChIKeyHXGHMTHKZTYSCL-JGVFFNPUSA-N
XLogP-0.88
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4S)-4-fluoro-N,N-dimethylpyrrolidine-2-carboxamide
CID 67428867
N-(4,4-dimethylcyclohexyl)-N-[(3S,5S)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]acetamide
CID 67356673
1,4-diazepan-1-yl-[(2S)-pyrrolidin-2-yl]methanone
CID 61154711
[(3R)-morpholin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 130992240
(2R,5S)-5-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 112757661
azepan-1-yl-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone
CID 28943560
[(2R)-4-ethylpiperazin-2-yl]-piperazin-1-ylmethanone
CID 141149704
azocan-1-yl(piperazin-2-yl)methanone
CID 63104167
piperazin-1-yl-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 93101281
6-(piperazine-1-carbonyl)-1,3-diazinane-2,4-dione
CID 74313460
4-[(2S,4R)-4-hydroxypyrrolidine-2-carbonyl]piperazine-1-carbaldehyde
CID 168822256
4-methyl-2-(piperazine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114390795

Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-4-fluoropyrrolidin-2-yl]-piperazin-1-ylmethanone?
The IUPAC name of [(2R,4S)-4-fluoropyrrolidin-2-yl]-piperazin-1-ylmethanone (CID 130978967) is [(2R,4S)-4-fluoropyrrolidin-2-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [(2R,4S)-4-fluoropyrrolidin-2-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [(2R,4S)-4-fluoropyrrolidin-2-yl]-piperazin-1-ylmethanone is O=C([C@H]1C[C@H](F)CN1)N1CCNCC1.
What is the InChIKey of [(2R,4S)-4-fluoropyrrolidin-2-yl]-piperazin-1-ylmethanone?
The InChIKey is HXGHMTHKZTYSCL-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H16FN3O/c10-7-5-8(12-6-7)9(14)13-3-1-11-2-4-13/h7-8,11-12H,1-6H2/t7-,8+/m0/s1.
What are the key properties of [(2R,4S)-4-fluoropyrrolidin-2-yl]-piperazin-1-ylmethanone?
[(2R,4S)-4-fluoropyrrolidin-2-yl]-piperazin-1-ylmethanone has a molecular weight of 201.24 g/mol, XLogP of -0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-4-fluoropyrrolidin-2-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 130978967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).