2-cyclopent-2-en-1-yl-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone

C14H24N2O — CID 63248758

IUPAC2-cyclopent-2-en-1-yl-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
SMILESCNCC1CCN(C(=O)CC2C=CCC2)CC1
InChIInChI=1S/C14H24N2O/c1-15-11-13-6-8-16(9-7-13)14(17)10-12-4-2-3-5-12/h2,4,12-13,15H,3,5-11H2,1H3
InChIKeyVJALXEGOHOMZSS-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.80
Rot. Bonds4

About 2-cyclopent-2-en-1-yl-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone

2-cyclopent-2-en-1-yl-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone (PubChem CID 63248758) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
PubChem CID63248758
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-cyclopent-2-en-1-yl-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
SMILESCNCC1CCN(C(=O)CC2C=CCC2)CC1
InChIInChI=1S/C14H24N2O/c1-15-11-13-6-8-16(9-7-13)14(17)10-12-4-2-3-5-12/h2,4,12-13,15H,3,5-11H2,1H3
InChIKeyVJALXEGOHOMZSS-UHFFFAOYSA-N
XLogP1.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-cyclopent-2-en-1-yl-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone 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

2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(fluoromethyl)piperidin-1-yl]ethanone
CID 129348527
2-cyclobutyl-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 103806634
2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(2-methoxyacetyl)-1,4-diazepan-1-yl]ethanone
CID 95218372
1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 22983136
4-(methylaminomethyl)piperidine-1-carboxamide
CID 63248763
2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]ethanone
CID 99705972
1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 22983130
1-(4-amino-3-methylpiperidin-1-yl)-2-cyclopent-2-en-1-ylethanone
CID 79879749
1-(3-aminopiperidin-1-yl)-2-cyclopent-2-en-1-ylethanone
CID 61297208
2-cyclopent-2-en-1-yl-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
CID 103727159
2-(1,1-dioxothiolan-3-yl)-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 63250693
2-cyclopent-2-en-1-yl-1-[4-(2-ethoxyphenoxy)piperidin-1-yl]ethanone
CID 51092131

Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-yl-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclopent-2-en-1-yl-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone (CID 63248758) is 2-cyclopent-2-en-1-yl-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopent-2-en-1-yl-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone is CNCC1CCN(C(=O)CC2C=CCC2)CC1.
What is the InChIKey of 2-cyclopent-2-en-1-yl-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone?
The InChIKey is VJALXEGOHOMZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-15-11-13-6-8-16(9-7-13)14(17)10-12-4-2-3-5-12/h2,4,12-13,15H,3,5-11H2,1H3.
What are the key properties of 2-cyclopent-2-en-1-yl-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone?
2-cyclopent-2-en-1-yl-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone has a molecular weight of 236.36 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 63248758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).