(2R)-2-(cyclopentylmethyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]-5-hydroxypentane-1,4-dione

C21H29FN2O3 — CID 58509567

IUPAC(2R)-2-(cyclopentylmethyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]-5-hydroxypentane-1,4-dione
SMILESO=C(CO)C[C@@H](CC1CCCC1)C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H29FN2O3/c22-18-5-7-19(8-6-18)23-9-11-24(12-10-23)21(27)17(14-20(26)15-25)13-16-3-1-2-4-16/h5-8,16-17,25H,1-4,9-15H2/t17-/m1/s1
InChIKeyLMAYROUESABGGO-QGZVFWFLSA-N
MW376.47 g/mol
LogP2.62
Rot. Bonds7

About (2R)-2-(cyclopentylmethyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]-5-hydroxypentane-1,4-dione

(2R)-2-(cyclopentylmethyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]-5-hydroxypentane-1,4-dione (PubChem CID 58509567) has the molecular formula C21H29FN2O3 and a molecular weight of 376.47 g/mol. Its IUPAC name is (2R)-2-(cyclopentylmethyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]-5-hydroxypentane-1,4-dione.

Molecular Properties

Compound Name(2R)-2-(cyclopentylmethyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]-5-hydroxypentane-1,4-dione
PubChem CID58509567
Molecular FormulaC21H29FN2O3
Molecular Weight376.47 g/mol
Exact Mass376.22
IUPAC Name(2R)-2-(cyclopentylmethyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]-5-hydroxypentane-1,4-dione
SMILESO=C(CO)C[C@@H](CC1CCCC1)C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H29FN2O3/c22-18-5-7-19(8-6-18)23-9-11-24(12-10-23)21(27)17(14-20(26)15-25)13-16-3-1-2-4-16/h5-8,16-17,25H,1-4,9-15H2/t17-/m1/s1
InChIKeyLMAYROUESABGGO-QGZVFWFLSA-N
XLogP2.62
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.47
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(cyclopentylmethyl)-4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-hydroxy-4-oxobutanamide;(3R)-3-(cyclopentylmethyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-N-hydroxy-4-oxobutanamide
CID 159115920
(3R)-3-(cyclopentylmethyl)-4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-hydroxy-4-oxobutanamide
CID 59979568
2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone
CID 120796792
3-cyclohexyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 898320
(2R)-2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119827512
1-(4-aminopiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 119375838
2-bromo-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 58778042
cis-(1R,2S)-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 873866
2-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 2886463
trans-(1S,2S)-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 873868
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-hydroxypiperidin-1-yl)propan-1-one
CID 110884135
1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrrolidine-2-carboxamide
CID 87013523

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(cyclopentylmethyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]-5-hydroxypentane-1,4-dione?
The IUPAC name of (2R)-2-(cyclopentylmethyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]-5-hydroxypentane-1,4-dione (CID 58509567) is (2R)-2-(cyclopentylmethyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]-5-hydroxypentane-1,4-dione.
What is the SMILES notation for (2R)-2-(cyclopentylmethyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]-5-hydroxypentane-1,4-dione?
The canonical SMILES for (2R)-2-(cyclopentylmethyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]-5-hydroxypentane-1,4-dione is O=C(CO)C[C@@H](CC1CCCC1)C(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of (2R)-2-(cyclopentylmethyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]-5-hydroxypentane-1,4-dione?
The InChIKey is LMAYROUESABGGO-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H29FN2O3/c22-18-5-7-19(8-6-18)23-9-11-24(12-10-23)21(27)17(14-20(26)15-25)13-16-3-1-2-4-16/h5-8,16-17,25H,1-4,9-15H2/t17-/m1/s1.
What are the key properties of (2R)-2-(cyclopentylmethyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]-5-hydroxypentane-1,4-dione?
(2R)-2-(cyclopentylmethyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]-5-hydroxypentane-1,4-dione has a molecular weight of 376.47 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(cyclopentylmethyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]-5-hydroxypentane-1,4-dione is sourced from PubChem (CID 58509567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).