[3-(2-aminoethyl)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone

C13H22N2O — CID 64766311

IUPAC[3-(2-aminoethyl)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone
SMILESNCCC1CCCN(C(=O)C2CC=CC2)C1
InChIInChI=1S/C13H22N2O/c14-8-7-11-4-3-9-15(10-11)13(16)12-5-1-2-6-12/h1-2,11-12H,3-10,14H2
InChIKeyTZNHMIOYTPFTMY-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.54
Rot. Bonds3

About [3-(2-aminoethyl)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone

[3-(2-aminoethyl)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone (PubChem CID 64766311) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is [3-(2-aminoethyl)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone.

Molecular Properties

Compound Name[3-(2-aminoethyl)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone
PubChem CID64766311
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name[3-(2-aminoethyl)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone
SMILESNCCC1CCCN(C(=O)C2CC=CC2)C1
InChIInChI=1S/C13H22N2O/c14-8-7-11-4-3-9-15(10-11)13(16)12-5-1-2-6-12/h1-2,11-12H,3-10,14H2
InChIKeyTZNHMIOYTPFTMY-UHFFFAOYSA-N
XLogP1.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 [3-(2-aminoethyl)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone?
The IUPAC name of [3-(2-aminoethyl)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone (CID 64766311) is [3-(2-aminoethyl)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone.
What is the SMILES notation for [3-(2-aminoethyl)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone?
The canonical SMILES for [3-(2-aminoethyl)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone is NCCC1CCCN(C(=O)C2CC=CC2)C1.
What is the InChIKey of [3-(2-aminoethyl)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone?
The InChIKey is TZNHMIOYTPFTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c14-8-7-11-4-3-9-15(10-11)13(16)12-5-1-2-6-12/h1-2,11-12H,3-10,14H2.
What are the key properties of [3-(2-aminoethyl)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone?
[3-(2-aminoethyl)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone has a molecular weight of 222.33 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminoethyl)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone is sourced from PubChem (CID 64766311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).