1-[4-[3-methoxy-N-(2-methylprop-2-enyl)anilino]piperidin-1-yl]ethanone

C18H26N2O2 — CID 22038362

IUPAC1-[4-[3-methoxy-N-(2-methylprop-2-enyl)anilino]piperidin-1-yl]ethanone
SMILESC=C(C)CN(c1cccc(OC)c1)C1CCN(C(C)=O)CC1
InChIInChI=1S/C18H26N2O2/c1-14(2)13-20(17-6-5-7-18(12-17)22-4)16-8-10-19(11-9-16)15(3)21/h5-7,12,16H,1,8-11,13H2,2-4H3
InChIKeySEBGQNKQIHMJMK-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.09
Rot. Bonds5

About 1-[4-[3-methoxy-N-(2-methylprop-2-enyl)anilino]piperidin-1-yl]ethanone

1-[4-[3-methoxy-N-(2-methylprop-2-enyl)anilino]piperidin-1-yl]ethanone (PubChem CID 22038362) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-[4-[3-methoxy-N-(2-methylprop-2-enyl)anilino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-methoxy-N-(2-methylprop-2-enyl)anilino]piperidin-1-yl]ethanone
PubChem CID22038362
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-[4-[3-methoxy-N-(2-methylprop-2-enyl)anilino]piperidin-1-yl]ethanone
SMILESC=C(C)CN(c1cccc(OC)c1)C1CCN(C(C)=O)CC1
InChIInChI=1S/C18H26N2O2/c1-14(2)13-20(17-6-5-7-18(12-17)22-4)16-8-10-19(11-9-16)15(3)21/h5-7,12,16H,1,8-11,13H2,2-4H3
InChIKeySEBGQNKQIHMJMK-UHFFFAOYSA-N
XLogP3.09
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-[4-[3-methoxy-N-(2-methylprop-2-enyl)anilino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-methoxy-N-(2-methylprop-2-enyl)anilino]piperidin-1-yl]ethanone (CID 22038362) is 1-[4-[3-methoxy-N-(2-methylprop-2-enyl)anilino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-methoxy-N-(2-methylprop-2-enyl)anilino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-methoxy-N-(2-methylprop-2-enyl)anilino]piperidin-1-yl]ethanone is C=C(C)CN(c1cccc(OC)c1)C1CCN(C(C)=O)CC1.
What is the InChIKey of 1-[4-[3-methoxy-N-(2-methylprop-2-enyl)anilino]piperidin-1-yl]ethanone?
The InChIKey is SEBGQNKQIHMJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-14(2)13-20(17-6-5-7-18(12-17)22-4)16-8-10-19(11-9-16)15(3)21/h5-7,12,16H,1,8-11,13H2,2-4H3.
What are the key properties of 1-[4-[3-methoxy-N-(2-methylprop-2-enyl)anilino]piperidin-1-yl]ethanone?
1-[4-[3-methoxy-N-(2-methylprop-2-enyl)anilino]piperidin-1-yl]ethanone has a molecular weight of 302.42 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-methoxy-N-(2-methylprop-2-enyl)anilino]piperidin-1-yl]ethanone is sourced from PubChem (CID 22038362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).