2-[[(E)-but-2-enyl]amino]-1-piperidin-1-ylethanone

C11H20N2O — CID 107899213

IUPAC2-[[(E)-but-2-enyl]amino]-1-piperidin-1-ylethanone
SMILESC/C=C/CNCC(=O)N1CCCCC1
InChIInChI=1S/C11H20N2O/c1-2-3-7-12-10-11(14)13-8-5-4-6-9-13/h2-3,12H,4-10H2,1H3/b3-2+
InChIKeyCFZPHYSSKRAOLV-NSCUHMNNSA-N
MW196.29 g/mol
LogP1.16
Rot. Bonds4

About 2-[[(E)-but-2-enyl]amino]-1-piperidin-1-ylethanone

2-[[(E)-but-2-enyl]amino]-1-piperidin-1-ylethanone (PubChem CID 107899213) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-[[(E)-but-2-enyl]amino]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[[(E)-but-2-enyl]amino]-1-piperidin-1-ylethanone
PubChem CID107899213
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-[[(E)-but-2-enyl]amino]-1-piperidin-1-ylethanone
SMILESC/C=C/CNCC(=O)N1CCCCC1
InChIInChI=1S/C11H20N2O/c1-2-3-7-12-10-11(14)13-8-5-4-6-9-13/h2-3,12H,4-10H2,1H3/b3-2+
InChIKeyCFZPHYSSKRAOLV-NSCUHMNNSA-N
XLogP1.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-oxo-2-piperidin-1-ylethyl)amino]-N-propan-2-ylacetamide
CID 43402015
2-(2-ethylbutylamino)-1-piperidin-1-ylethanone
CID 115756524
N-(2-oxo-2-pyrrolidin-1-ylethyl)formamide
CID 89247006
2-(2-aminoethylamino)-1-(azepan-1-yl)ethanone
CID 62140336
2-(2-aminoethylamino)-1-piperidin-1-ylethanone
CID 62140335
1-piperidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone
CID 28596000
1-(azepan-1-yl)-2-(2-methylbutylamino)ethanone
CID 62691599
2-[(3-hydroxy-2-methylpropyl)amino]-1-piperidin-1-ylethanone
CID 65036162
1-(azepan-1-yl)-2-(cyclopentylmethylamino)ethanone
CID 43371059
2-(cyclohexylmethylamino)-1-piperidin-1-ylethanone
CID 43216149
N-[2-(azepan-1-yl)-2-oxoethyl]pentanamide
CID 112995931
3-[[2-(azepan-1-yl)-2-oxoethyl]amino]-2,2-dimethylpropanamide
CID 114167213

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-but-2-enyl]amino]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[[(E)-but-2-enyl]amino]-1-piperidin-1-ylethanone (CID 107899213) is 2-[[(E)-but-2-enyl]amino]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[[(E)-but-2-enyl]amino]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[[(E)-but-2-enyl]amino]-1-piperidin-1-ylethanone is C/C=C/CNCC(=O)N1CCCCC1.
What is the InChIKey of 2-[[(E)-but-2-enyl]amino]-1-piperidin-1-ylethanone?
The InChIKey is CFZPHYSSKRAOLV-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H20N2O/c1-2-3-7-12-10-11(14)13-8-5-4-6-9-13/h2-3,12H,4-10H2,1H3/b3-2+.
What are the key properties of 2-[[(E)-but-2-enyl]amino]-1-piperidin-1-ylethanone?
2-[[(E)-but-2-enyl]amino]-1-piperidin-1-ylethanone has a molecular weight of 196.29 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-but-2-enyl]amino]-1-piperidin-1-ylethanone is sourced from PubChem (CID 107899213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).