1-[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(1-hydroxycyclopentyl)ethanone

C17H28N4O2 — CID 129335910

IUPAC1-[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(1-hydroxycyclopentyl)ethanone
SMILESCCN1CCN(C(=O)CC2(O)CCCC2)C[C@@H]1c1nccn1C
InChIInChI=1S/C17H28N4O2/c1-3-20-10-11-21(13-14(20)16-18-8-9-19(16)2)15(22)12-17(23)6-4-5-7-17/h8-9,14,23H,3-7,10-13H2,1-2H3/t14-/m1/s1
InChIKeyPUXJBDKXKONPEN-CQSZACIVSA-N
MW320.44 g/mol
LogP1.32
Rot. Bonds4

About 1-[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(1-hydroxycyclopentyl)ethanone

1-[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(1-hydroxycyclopentyl)ethanone (PubChem CID 129335910) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(1-hydroxycyclopentyl)ethanone.

Molecular Properties

Compound Name1-[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(1-hydroxycyclopentyl)ethanone
PubChem CID129335910
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name1-[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(1-hydroxycyclopentyl)ethanone
SMILESCCN1CCN(C(=O)CC2(O)CCCC2)C[C@@H]1c1nccn1C
InChIInChI=1S/C17H28N4O2/c1-3-20-10-11-21(13-14(20)16-18-8-9-19(16)2)15(22)12-17(23)6-4-5-7-17/h8-9,14,23H,3-7,10-13H2,1-2H3/t14-/m1/s1
InChIKeyPUXJBDKXKONPEN-CQSZACIVSA-N
XLogP1.32
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(1-hydroxycyclopentyl)ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(1-hydroxycyclopentyl)ethanone?
The IUPAC name of 1-[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(1-hydroxycyclopentyl)ethanone (CID 129335910) is 1-[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(1-hydroxycyclopentyl)ethanone.
What is the SMILES notation for 1-[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(1-hydroxycyclopentyl)ethanone?
The canonical SMILES for 1-[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(1-hydroxycyclopentyl)ethanone is CCN1CCN(C(=O)CC2(O)CCCC2)C[C@@H]1c1nccn1C.
What is the InChIKey of 1-[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(1-hydroxycyclopentyl)ethanone?
The InChIKey is PUXJBDKXKONPEN-CQSZACIVSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-3-20-10-11-21(13-14(20)16-18-8-9-19(16)2)15(22)12-17(23)6-4-5-7-17/h8-9,14,23H,3-7,10-13H2,1-2H3/t14-/m1/s1.
What are the key properties of 1-[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(1-hydroxycyclopentyl)ethanone?
1-[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(1-hydroxycyclopentyl)ethanone has a molecular weight of 320.44 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(1-hydroxycyclopentyl)ethanone is sourced from PubChem (CID 129335910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).