[2-(aminomethyl)-4-methylpiperazin-1-yl]-cyclopent-3-en-1-ylmethanone

C12H21N3O — CID 80504874

IUPAC[2-(aminomethyl)-4-methylpiperazin-1-yl]-cyclopent-3-en-1-ylmethanone
SMILESCN1CCN(C(=O)C2CC=CC2)C(CN)C1
InChIInChI=1S/C12H21N3O/c1-14-6-7-15(11(8-13)9-14)12(16)10-4-2-3-5-10/h2-3,10-11H,4-9,13H2,1H3
InChIKeyVQDCRMWXDVSMFE-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.05
Rot. Bonds2

About [2-(aminomethyl)-4-methylpiperazin-1-yl]-cyclopent-3-en-1-ylmethanone

[2-(aminomethyl)-4-methylpiperazin-1-yl]-cyclopent-3-en-1-ylmethanone (PubChem CID 80504874) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is [2-(aminomethyl)-4-methylpiperazin-1-yl]-cyclopent-3-en-1-ylmethanone.

Molecular Properties

Compound Name[2-(aminomethyl)-4-methylpiperazin-1-yl]-cyclopent-3-en-1-ylmethanone
PubChem CID80504874
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name[2-(aminomethyl)-4-methylpiperazin-1-yl]-cyclopent-3-en-1-ylmethanone
SMILESCN1CCN(C(=O)C2CC=CC2)C(CN)C1
InChIInChI=1S/C12H21N3O/c1-14-6-7-15(11(8-13)9-14)12(16)10-4-2-3-5-10/h2-3,10-11H,4-9,13H2,1H3
InChIKeyVQDCRMWXDVSMFE-UHFFFAOYSA-N
XLogP0.05
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-methylpyrrolidin-3-yl)methanone
CID 80504912
[2-(aminomethyl)-4-methylpiperazin-1-yl]-cyclobutylmethanone
CID 80505035
2-(aminomethyl)-4-methylpiperazine-1-carboxylic acid
CID 70037623
[2-(aminomethyl)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone
CID 64767287
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone
CID 104872381
1-[2-(aminomethyl)-4-methylpiperazin-1-yl]prop-2-en-1-one
CID 80504839
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(2-bicyclo[2.2.1]hept-5-enyl)methanone
CID 80504586
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 80505057
2-(aminomethyl)-4-methyl-N-propylpiperazine-1-carboxamide
CID 80504793
[2-(aminomethyl)pyrrolidin-1-yl]-(1-methylpyrrolidin-3-yl)methanone
CID 83619572
2-(aminomethyl)-N-butyl-4-methylpiperazine-1-carboxamide
CID 80504975
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-methylcyclohexyl)methanone
CID 106828078

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-4-methylpiperazin-1-yl]-cyclopent-3-en-1-ylmethanone?
The IUPAC name of [2-(aminomethyl)-4-methylpiperazin-1-yl]-cyclopent-3-en-1-ylmethanone (CID 80504874) is [2-(aminomethyl)-4-methylpiperazin-1-yl]-cyclopent-3-en-1-ylmethanone.
What is the SMILES notation for [2-(aminomethyl)-4-methylpiperazin-1-yl]-cyclopent-3-en-1-ylmethanone?
The canonical SMILES for [2-(aminomethyl)-4-methylpiperazin-1-yl]-cyclopent-3-en-1-ylmethanone is CN1CCN(C(=O)C2CC=CC2)C(CN)C1.
What is the InChIKey of [2-(aminomethyl)-4-methylpiperazin-1-yl]-cyclopent-3-en-1-ylmethanone?
The InChIKey is VQDCRMWXDVSMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-14-6-7-15(11(8-13)9-14)12(16)10-4-2-3-5-10/h2-3,10-11H,4-9,13H2,1H3.
What are the key properties of [2-(aminomethyl)-4-methylpiperazin-1-yl]-cyclopent-3-en-1-ylmethanone?
[2-(aminomethyl)-4-methylpiperazin-1-yl]-cyclopent-3-en-1-ylmethanone has a molecular weight of 223.32 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-4-methylpiperazin-1-yl]-cyclopent-3-en-1-ylmethanone is sourced from PubChem (CID 80504874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).