2-[bis(prop-2-enyl)amino]-1-piperidin-1-ylethanone

C13H22N2O — CID 54817889

IUPAC2-[bis(prop-2-enyl)amino]-1-piperidin-1-ylethanone
SMILESC=CCN(CC=C)CC(=O)N1CCCCC1
InChIInChI=1S/C13H22N2O/c1-3-8-14(9-4-2)12-13(16)15-10-6-5-7-11-15/h3-4H,1-2,5-12H2
InChIKeyVUBMYACEAWBZRF-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.67
Rot. Bonds6

About 2-[bis(prop-2-enyl)amino]-1-piperidin-1-ylethanone

2-[bis(prop-2-enyl)amino]-1-piperidin-1-ylethanone (PubChem CID 54817889) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-[bis(prop-2-enyl)amino]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[bis(prop-2-enyl)amino]-1-piperidin-1-ylethanone
PubChem CID54817889
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-[bis(prop-2-enyl)amino]-1-piperidin-1-ylethanone
SMILESC=CCN(CC=C)CC(=O)N1CCCCC1
InChIInChI=1S/C13H22N2O/c1-3-8-14(9-4-2)12-13(16)15-10-6-5-7-11-15/h3-4H,1-2,5-12H2
InChIKeyVUBMYACEAWBZRF-UHFFFAOYSA-N
XLogP1.67
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.67
H-Bond Donors ≤ 50
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 2-[bis(prop-2-enyl)amino]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[bis(prop-2-enyl)amino]-1-piperidin-1-ylethanone (CID 54817889) is 2-[bis(prop-2-enyl)amino]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[bis(prop-2-enyl)amino]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[bis(prop-2-enyl)amino]-1-piperidin-1-ylethanone is C=CCN(CC=C)CC(=O)N1CCCCC1.
What is the InChIKey of 2-[bis(prop-2-enyl)amino]-1-piperidin-1-ylethanone?
The InChIKey is VUBMYACEAWBZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-8-14(9-4-2)12-13(16)15-10-6-5-7-11-15/h3-4H,1-2,5-12H2.
What are the key properties of 2-[bis(prop-2-enyl)amino]-1-piperidin-1-ylethanone?
2-[bis(prop-2-enyl)amino]-1-piperidin-1-ylethanone has a molecular weight of 222.33 g/mol, XLogP of 1.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(prop-2-enyl)amino]-1-piperidin-1-ylethanone is sourced from PubChem (CID 54817889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).