1-[4-[1-(methylamino)ethenyl]piperidin-1-yl]ethanone

C10H18N2O — CID 163719405

IUPAC1-[4-[1-(methylamino)ethenyl]piperidin-1-yl]ethanone
SMILESC=C(NC)C1CCN(C(C)=O)CC1
InChIInChI=1S/C10H18N2O/c1-8(11-3)10-4-6-12(7-5-10)9(2)13/h10-11H,1,4-7H2,2-3H3
InChIKeyKQEYDTLKDMFWES-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.98
Rot. Bonds2

About 1-[4-[1-(methylamino)ethenyl]piperidin-1-yl]ethanone

1-[4-[1-(methylamino)ethenyl]piperidin-1-yl]ethanone (PubChem CID 163719405) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-[4-[1-(methylamino)ethenyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[1-(methylamino)ethenyl]piperidin-1-yl]ethanone
PubChem CID163719405
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-[4-[1-(methylamino)ethenyl]piperidin-1-yl]ethanone
SMILESC=C(NC)C1CCN(C(C)=O)CC1
InChIInChI=1S/C10H18N2O/c1-8(11-3)10-4-6-12(7-5-10)9(2)13/h10-11H,1,4-7H2,2-3H3
InChIKeyKQEYDTLKDMFWES-UHFFFAOYSA-N
XLogP0.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(methylamino)ethenyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[1-(methylamino)ethenyl]piperidin-1-yl]ethanone (CID 163719405) is 1-[4-[1-(methylamino)ethenyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[1-(methylamino)ethenyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[1-(methylamino)ethenyl]piperidin-1-yl]ethanone is C=C(NC)C1CCN(C(C)=O)CC1.
What is the InChIKey of 1-[4-[1-(methylamino)ethenyl]piperidin-1-yl]ethanone?
The InChIKey is KQEYDTLKDMFWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-8(11-3)10-4-6-12(7-5-10)9(2)13/h10-11H,1,4-7H2,2-3H3.
What are the key properties of 1-[4-[1-(methylamino)ethenyl]piperidin-1-yl]ethanone?
1-[4-[1-(methylamino)ethenyl]piperidin-1-yl]ethanone has a molecular weight of 182.27 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(methylamino)ethenyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 163719405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).