2-[(1R)-cyclopent-2-en-1-yl]-1-(4-methylpiperidin-1-yl)ethanone

C13H21NO — CID 39969447

IUPAC2-[(1R)-cyclopent-2-en-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)C[C@@H]2C=CCC2)CC1
InChIInChI=1S/C13H21NO/c1-11-6-8-14(9-7-11)13(15)10-12-4-2-3-5-12/h2,4,11-12H,3,5-10H2,1H3/t12-/m1/s1
InChIKeyFBZBUHRDXGOXNO-GFCCVEGCSA-N
MW207.32 g/mol
LogP2.60
Rot. Bonds2

About 2-[(1R)-cyclopent-2-en-1-yl]-1-(4-methylpiperidin-1-yl)ethanone

2-[(1R)-cyclopent-2-en-1-yl]-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 39969447) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-[(1R)-cyclopent-2-en-1-yl]-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(1R)-cyclopent-2-en-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID39969447
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-[(1R)-cyclopent-2-en-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)C[C@@H]2C=CCC2)CC1
InChIInChI=1S/C13H21NO/c1-11-6-8-14(9-7-11)13(15)10-12-4-2-3-5-12/h2,4,11-12H,3,5-10H2,1H3/t12-/m1/s1
InChIKeyFBZBUHRDXGOXNO-GFCCVEGCSA-N
XLogP2.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-cyclopent-2-en-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[(1R)-cyclopent-2-en-1-yl]-1-(4-methylpiperidin-1-yl)ethanone (CID 39969447) is 2-[(1R)-cyclopent-2-en-1-yl]-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[(1R)-cyclopent-2-en-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[(1R)-cyclopent-2-en-1-yl]-1-(4-methylpiperidin-1-yl)ethanone is CC1CCN(C(=O)C[C@@H]2C=CCC2)CC1.
What is the InChIKey of 2-[(1R)-cyclopent-2-en-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is FBZBUHRDXGOXNO-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H21NO/c1-11-6-8-14(9-7-11)13(15)10-12-4-2-3-5-12/h2,4,11-12H,3,5-10H2,1H3/t12-/m1/s1.
What are the key properties of 2-[(1R)-cyclopent-2-en-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
2-[(1R)-cyclopent-2-en-1-yl]-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 207.32 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-cyclopent-2-en-1-yl]-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 39969447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).