(1-methylcyclopentyl)-[(3S)-3-methylpiperazin-1-yl]methanone

C12H22N2O — CID 81426217

IUPAC(1-methylcyclopentyl)-[(3S)-3-methylpiperazin-1-yl]methanone
SMILESC[C@H]1CN(C(=O)C2(C)CCCC2)CCN1
InChIInChI=1S/C12H22N2O/c1-10-9-14(8-7-13-10)11(15)12(2)5-3-4-6-12/h10,13H,3-9H2,1-2H3/t10-/m0/s1
InChIKeyVFLLFYHZBAFDAO-JTQLQIEISA-N
MW210.32 g/mol
LogP1.39
Rot. Bonds1

About (1-methylcyclopentyl)-[(3S)-3-methylpiperazin-1-yl]methanone

(1-methylcyclopentyl)-[(3S)-3-methylpiperazin-1-yl]methanone (PubChem CID 81426217) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (1-methylcyclopentyl)-[(3S)-3-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylcyclopentyl)-[(3S)-3-methylpiperazin-1-yl]methanone
PubChem CID81426217
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(1-methylcyclopentyl)-[(3S)-3-methylpiperazin-1-yl]methanone
SMILESC[C@H]1CN(C(=O)C2(C)CCCC2)CCN1
InChIInChI=1S/C12H22N2O/c1-10-9-14(8-7-13-10)11(15)12(2)5-3-4-6-12/h10,13H,3-9H2,1-2H3/t10-/m0/s1
InChIKeyVFLLFYHZBAFDAO-JTQLQIEISA-N
XLogP1.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1-methylcyclopentyl)-[(3S)-3-methylpiperazin-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

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclopentyl)-[(3S)-3-methylpiperazin-1-yl]methanone?
The IUPAC name of (1-methylcyclopentyl)-[(3S)-3-methylpiperazin-1-yl]methanone (CID 81426217) is (1-methylcyclopentyl)-[(3S)-3-methylpiperazin-1-yl]methanone.
What is the SMILES notation for (1-methylcyclopentyl)-[(3S)-3-methylpiperazin-1-yl]methanone?
The canonical SMILES for (1-methylcyclopentyl)-[(3S)-3-methylpiperazin-1-yl]methanone is C[C@H]1CN(C(=O)C2(C)CCCC2)CCN1.
What is the InChIKey of (1-methylcyclopentyl)-[(3S)-3-methylpiperazin-1-yl]methanone?
The InChIKey is VFLLFYHZBAFDAO-JTQLQIEISA-N. The full InChI is InChI=1S/C12H22N2O/c1-10-9-14(8-7-13-10)11(15)12(2)5-3-4-6-12/h10,13H,3-9H2,1-2H3/t10-/m0/s1.
What are the key properties of (1-methylcyclopentyl)-[(3S)-3-methylpiperazin-1-yl]methanone?
(1-methylcyclopentyl)-[(3S)-3-methylpiperazin-1-yl]methanone has a molecular weight of 210.32 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclopentyl)-[(3S)-3-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 81426217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).