(3R)-3-(2-fluorophenyl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]butan-1-one

C19H27FN2O2 — CID 124733179

IUPAC(3R)-3-(2-fluorophenyl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]butan-1-one
SMILESC[C@H](CC(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1)c1ccccc1F
InChIInChI=1S/C19H27FN2O2/c1-14(15-5-2-3-6-16(15)20)13-19(24)22-11-9-21(10-12-22)17-7-4-8-18(17)23/h2-3,5-6,14,17-18,23H,4,7-13H2,1H3/t14-,17-,18-/m1/s1
InChIKeyKOLJDEFIZBDMJY-ZTFGCOKTSA-N
MW334.43 g/mol
LogP2.38
Rot. Bonds4

About (3R)-3-(2-fluorophenyl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]butan-1-one

(3R)-3-(2-fluorophenyl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]butan-1-one (PubChem CID 124733179) has the molecular formula C19H27FN2O2 and a molecular weight of 334.43 g/mol. Its IUPAC name is (3R)-3-(2-fluorophenyl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name(3R)-3-(2-fluorophenyl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]butan-1-one
PubChem CID124733179
Molecular FormulaC19H27FN2O2
Molecular Weight334.43 g/mol
Exact Mass334.21
IUPAC Name(3R)-3-(2-fluorophenyl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]butan-1-one
SMILESC[C@H](CC(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1)c1ccccc1F
InChIInChI=1S/C19H27FN2O2/c1-14(15-5-2-3-6-16(15)20)13-19(24)22-11-9-21(10-12-22)17-7-4-8-18(17)23/h2-3,5-6,14,17-18,23H,4,7-13H2,1H3/t14-,17-,18-/m1/s1
InChIKeyKOLJDEFIZBDMJY-ZTFGCOKTSA-N
XLogP2.38
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-3-(2-fluorophenyl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]butan-1-one with MolForge

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Related Compounds

1-[3-(2-fluorophenyl)butanoyl]piperidine-4-carboxylic acid
CID 119166742
1-[(3S)-3-(2-fluorophenyl)butanoyl]piperidine-4-carboxylic acid
CID 124688108
1-[4-(1-aminoethyl)piperidin-1-yl]-3-(2-fluorophenyl)butan-1-one;hydrochloride
CID 119520970
(3R)-3-(2-fluorophenyl)-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]butan-1-one
CID 95348820
3-(2-fluorophenyl)-1-piperazin-1-ylbutan-1-one;hydrochloride
CID 119403904
(3R)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-3-phenylpentan-1-one
CID 124859480
3-(2,6-difluorophenyl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one
CID 95759452
3-(2,6-difluorophenyl)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one
CID 95759453
(3S)-3-(2-fluorophenyl)-1-[(3S)-3-methylpiperazin-1-yl]butan-1-one
CID 124694280
6-[3-(2-fluorophenyl)butanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175510
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-(2-fluorophenyl)butan-1-one;hydrochloride
CID 119664692
(2S)-1-[(3R)-3-(2-fluorophenyl)butanoyl]piperidine-2-carboxylic acid
CID 99639914

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-fluorophenyl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]butan-1-one?
The IUPAC name of (3R)-3-(2-fluorophenyl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]butan-1-one (CID 124733179) is (3R)-3-(2-fluorophenyl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]butan-1-one.
What is the SMILES notation for (3R)-3-(2-fluorophenyl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]butan-1-one?
The canonical SMILES for (3R)-3-(2-fluorophenyl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]butan-1-one is C[C@H](CC(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1)c1ccccc1F.
What is the InChIKey of (3R)-3-(2-fluorophenyl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]butan-1-one?
The InChIKey is KOLJDEFIZBDMJY-ZTFGCOKTSA-N. The full InChI is InChI=1S/C19H27FN2O2/c1-14(15-5-2-3-6-16(15)20)13-19(24)22-11-9-21(10-12-22)17-7-4-8-18(17)23/h2-3,5-6,14,17-18,23H,4,7-13H2,1H3/t14-,17-,18-/m1/s1.
What are the key properties of (3R)-3-(2-fluorophenyl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]butan-1-one?
(3R)-3-(2-fluorophenyl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]butan-1-one has a molecular weight of 334.43 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-fluorophenyl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]butan-1-one is sourced from PubChem (CID 124733179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).