cyclopent-3-en-1-yl-[(3R)-3-methylpiperazin-1-yl]methanone

C11H18N2O — CID 104974832

IUPACcyclopent-3-en-1-yl-[(3R)-3-methylpiperazin-1-yl]methanone
SMILESC[C@@H]1CN(C(=O)C2CC=CC2)CCN1
InChIInChI=1S/C11H18N2O/c1-9-8-13(7-6-12-9)11(14)10-4-2-3-5-10/h2-3,9-10,12H,4-8H2,1H3/t9-/m1/s1
InChIKeyJQAOMNOWLKFASI-SECBINFHSA-N
MW194.28 g/mol
LogP0.77
Rot. Bonds1

About cyclopent-3-en-1-yl-[(3R)-3-methylpiperazin-1-yl]methanone

cyclopent-3-en-1-yl-[(3R)-3-methylpiperazin-1-yl]methanone (PubChem CID 104974832) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is cyclopent-3-en-1-yl-[(3R)-3-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopent-3-en-1-yl-[(3R)-3-methylpiperazin-1-yl]methanone
PubChem CID104974832
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Namecyclopent-3-en-1-yl-[(3R)-3-methylpiperazin-1-yl]methanone
SMILESC[C@@H]1CN(C(=O)C2CC=CC2)CCN1
InChIInChI=1S/C11H18N2O/c1-9-8-13(7-6-12-9)11(14)10-4-2-3-5-10/h2-3,9-10,12H,4-8H2,1H3/t9-/m1/s1
InChIKeyJQAOMNOWLKFASI-SECBINFHSA-N
XLogP0.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

cyclopropyl-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81427815
cyclobutyl-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427984
(3-methylcyclobutyl)-[(3S)-3-methylpiperazin-1-yl]methanone;hydrochloride
CID 130747809
[(3R)-3-methylpiperazin-1-yl]-(oxan-4-yl)methanone
CID 81427826
1-(3-methylpiperazin-1-yl)ethanone
CID 10749289
1-[3-(3-methylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 119577018
(2,2-dimethylcyclopropyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 102611992
[(3S)-3-methylpiperazin-1-yl]-piperidin-1-ylmethanone
CID 104976372
[(3R)-3-methylpiperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 107126386
cyclopent-3-en-1-yl-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 129371278
(3-amino-4-methylpiperidin-1-yl)-cyclopent-3-en-1-ylmethanone
CID 64767643
[1-(4-bromobenzoyl)piperidin-4-yl]-[(3S)-3-methylpiperazin-1-yl]methanone
CID 166234051

Frequently Asked Questions

What is the IUPAC name of cyclopent-3-en-1-yl-[(3R)-3-methylpiperazin-1-yl]methanone?
The IUPAC name of cyclopent-3-en-1-yl-[(3R)-3-methylpiperazin-1-yl]methanone (CID 104974832) is cyclopent-3-en-1-yl-[(3R)-3-methylpiperazin-1-yl]methanone.
What is the SMILES notation for cyclopent-3-en-1-yl-[(3R)-3-methylpiperazin-1-yl]methanone?
The canonical SMILES for cyclopent-3-en-1-yl-[(3R)-3-methylpiperazin-1-yl]methanone is C[C@@H]1CN(C(=O)C2CC=CC2)CCN1.
What is the InChIKey of cyclopent-3-en-1-yl-[(3R)-3-methylpiperazin-1-yl]methanone?
The InChIKey is JQAOMNOWLKFASI-SECBINFHSA-N. The full InChI is InChI=1S/C11H18N2O/c1-9-8-13(7-6-12-9)11(14)10-4-2-3-5-10/h2-3,9-10,12H,4-8H2,1H3/t9-/m1/s1.
What are the key properties of cyclopent-3-en-1-yl-[(3R)-3-methylpiperazin-1-yl]methanone?
cyclopent-3-en-1-yl-[(3R)-3-methylpiperazin-1-yl]methanone has a molecular weight of 194.28 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-3-en-1-yl-[(3R)-3-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 104974832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).