1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one

C15H23N3O2S — CID 96500899

IUPAC1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one
SMILESO=C(CCc1nccs1)N1CCN([C@@H]2CCC[C@@H]2O)CC1
InChIInChI=1S/C15H23N3O2S/c19-13-3-1-2-12(13)17-7-9-18(10-8-17)15(20)5-4-14-16-6-11-21-14/h6,11-13,19H,1-5,7-10H2/t12-,13+/m1/s1
InChIKeyWDOMNMJGWAINDL-OLZOCXBDSA-N
MW309.44 g/mol
LogP1.13
Rot. Bonds4

About 1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one

1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one (PubChem CID 96500899) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one
PubChem CID96500899
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one
SMILESO=C(CCc1nccs1)N1CCN([C@@H]2CCC[C@@H]2O)CC1
InChIInChI=1S/C15H23N3O2S/c19-13-3-1-2-12(13)17-7-9-18(10-8-17)15(20)5-4-14-16-6-11-21-14/h6,11-13,19H,1-5,7-10H2/t12-,13+/m1/s1
InChIKeyWDOMNMJGWAINDL-OLZOCXBDSA-N
XLogP1.13
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 95758954
1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-4-pyridin-2-ylbutan-1-one
CID 95759735
N-ethyl-4-[3-(1,3-thiazol-2-yl)propanoyl]piperazine-1-carboxamide
CID 136524578
1-(4-phenylpiperazin-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one
CID 56687363
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
3-(2-ethoxyphenyl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one
CID 95758962
3-(2-chlorophenyl)-1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one
CID 95759398
1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-4-pyrazol-1-ylbutan-1-one
CID 95758850
1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 96500760
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one
CID 95758842
4-(azepan-1-yl)-4-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide
CID 135099676

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one?
The IUPAC name of 1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one (CID 96500899) is 1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one.
What is the SMILES notation for 1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one?
The canonical SMILES for 1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one is O=C(CCc1nccs1)N1CCN([C@@H]2CCC[C@@H]2O)CC1.
What is the InChIKey of 1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one?
The InChIKey is WDOMNMJGWAINDL-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H23N3O2S/c19-13-3-1-2-12(13)17-7-9-18(10-8-17)15(20)5-4-14-16-6-11-21-14/h6,11-13,19H,1-5,7-10H2/t12-,13+/m1/s1.
What are the key properties of 1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one?
1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one has a molecular weight of 309.44 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one is sourced from PubChem (CID 96500899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).