1-ethyl-3-[1-(2-methylprop-2-enyl)piperidin-4-yl]urea

C12H23N3O — CID 56781442

IUPAC1-ethyl-3-[1-(2-methylprop-2-enyl)piperidin-4-yl]urea
SMILESC=C(C)CN1CCC(NC(=O)NCC)CC1
InChIInChI=1S/C12H23N3O/c1-4-13-12(16)14-11-5-7-15(8-6-11)9-10(2)3/h11H,2,4-9H2,1,3H3,(H2,13,14,16)
InChIKeyMCKJTMZHMNHORE-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.35
Rot. Bonds4

About 1-ethyl-3-[1-(2-methylprop-2-enyl)piperidin-4-yl]urea

1-ethyl-3-[1-(2-methylprop-2-enyl)piperidin-4-yl]urea (PubChem CID 56781442) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-ethyl-3-[1-(2-methylprop-2-enyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[1-(2-methylprop-2-enyl)piperidin-4-yl]urea
PubChem CID56781442
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-ethyl-3-[1-(2-methylprop-2-enyl)piperidin-4-yl]urea
SMILESC=C(C)CN1CCC(NC(=O)NCC)CC1
InChIInChI=1S/C12H23N3O/c1-4-13-12(16)14-11-5-7-15(8-6-11)9-10(2)3/h11H,2,4-9H2,1,3H3,(H2,13,14,16)
InChIKeyMCKJTMZHMNHORE-UHFFFAOYSA-N
XLogP1.35
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.35
H-Bond Donors ≤ 52
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 1-ethyl-3-[1-(2-methylprop-2-enyl)piperidin-4-yl]urea?
The IUPAC name of 1-ethyl-3-[1-(2-methylprop-2-enyl)piperidin-4-yl]urea (CID 56781442) is 1-ethyl-3-[1-(2-methylprop-2-enyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-ethyl-3-[1-(2-methylprop-2-enyl)piperidin-4-yl]urea?
The canonical SMILES for 1-ethyl-3-[1-(2-methylprop-2-enyl)piperidin-4-yl]urea is C=C(C)CN1CCC(NC(=O)NCC)CC1.
What is the InChIKey of 1-ethyl-3-[1-(2-methylprop-2-enyl)piperidin-4-yl]urea?
The InChIKey is MCKJTMZHMNHORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-4-13-12(16)14-11-5-7-15(8-6-11)9-10(2)3/h11H,2,4-9H2,1,3H3,(H2,13,14,16).
What are the key properties of 1-ethyl-3-[1-(2-methylprop-2-enyl)piperidin-4-yl]urea?
1-ethyl-3-[1-(2-methylprop-2-enyl)piperidin-4-yl]urea has a molecular weight of 225.34 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[1-(2-methylprop-2-enyl)piperidin-4-yl]urea is sourced from PubChem (CID 56781442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).