(4-ethyl-5-methylthiophen-2-yl)-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone

C17H26N2O2S — CID 95758886

IUPAC(4-ethyl-5-methylthiophen-2-yl)-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
SMILESCCc1cc(C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)sc1C
InChIInChI=1S/C17H26N2O2S/c1-3-13-11-16(22-12(13)2)17(21)19-9-7-18(8-10-19)14-5-4-6-15(14)20/h11,14-15,20H,3-10H2,1-2H3/t14-,15-/m1/s1
InChIKeyVMNLRLBECLUHEY-HUUCEWRRSA-N
MW322.47 g/mol
LogP2.29
Rot. Bonds3

About (4-ethyl-5-methylthiophen-2-yl)-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone

(4-ethyl-5-methylthiophen-2-yl)-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone (PubChem CID 95758886) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is (4-ethyl-5-methylthiophen-2-yl)-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethyl-5-methylthiophen-2-yl)-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
PubChem CID95758886
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Name(4-ethyl-5-methylthiophen-2-yl)-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
SMILESCCc1cc(C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)sc1C
InChIInChI=1S/C17H26N2O2S/c1-3-13-11-16(22-12(13)2)17(21)19-9-7-18(8-10-19)14-5-4-6-15(14)20/h11,14-15,20H,3-10H2,1-2H3/t14-,15-/m1/s1
InChIKeyVMNLRLBECLUHEY-HUUCEWRRSA-N
XLogP2.29
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-ethyl-5-methylthiophen-2-yl)-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azepan-1-yl-(4-ethyl-5-methylthiophen-2-yl)methanone
CID 60634850
(4-ethyl-5-methylthiophen-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 78785729
(3S)-1-(4-ethyl-5-methylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 94917459
azetidin-1-yl-(5-methyl-4-propylthiophen-2-yl)methanone
CID 39959347
2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-3-yl]acetic acid
CID 62689218
(4-ethylthiadiazol-5-yl)-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 96500686
methyl 1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidine-3-carboxylate
CID 78919176
[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-(4-ethyl-5-methylthiophen-2-yl)methanone
CID 55716288
1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-2-(5-methylthiophen-2-yl)ethanone
CID 97006921
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 95758964
[4-(3-chlorophenyl)piperazin-1-yl]-(4-ethyl-5-methylthiophen-2-yl)methanone
CID 9146285
(3,4-dihydroxypyrrolidin-1-yl)-(5-methyl-4-propylthiophen-2-yl)methanone
CID 106671858

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-5-methylthiophen-2-yl)-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone?
The IUPAC name of (4-ethyl-5-methylthiophen-2-yl)-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone (CID 95758886) is (4-ethyl-5-methylthiophen-2-yl)-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-ethyl-5-methylthiophen-2-yl)-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-ethyl-5-methylthiophen-2-yl)-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone is CCc1cc(C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)sc1C.
What is the InChIKey of (4-ethyl-5-methylthiophen-2-yl)-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone?
The InChIKey is VMNLRLBECLUHEY-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-3-13-11-16(22-12(13)2)17(21)19-9-7-18(8-10-19)14-5-4-6-15(14)20/h11,14-15,20H,3-10H2,1-2H3/t14-,15-/m1/s1.
What are the key properties of (4-ethyl-5-methylthiophen-2-yl)-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone?
(4-ethyl-5-methylthiophen-2-yl)-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone has a molecular weight of 322.47 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-5-methylthiophen-2-yl)-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone is sourced from PubChem (CID 95758886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).