1-(cyclohex-3-en-1-ylmethyl)-3-(1-methylpiperidin-4-yl)urea

C14H25N3O — CID 60593347

IUPAC1-(cyclohex-3-en-1-ylmethyl)-3-(1-methylpiperidin-4-yl)urea
SMILESCN1CCC(NC(=O)NCC2CC=CCC2)CC1
InChIInChI=1S/C14H25N3O/c1-17-9-7-13(8-10-17)16-14(18)15-11-12-5-3-2-4-6-12/h2-3,12-13H,4-11H2,1H3,(H2,15,16,18)
InChIKeyFKBVCWVBWOZCHE-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.74
Rot. Bonds3

About 1-(cyclohex-3-en-1-ylmethyl)-3-(1-methylpiperidin-4-yl)urea

1-(cyclohex-3-en-1-ylmethyl)-3-(1-methylpiperidin-4-yl)urea (PubChem CID 60593347) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(cyclohex-3-en-1-ylmethyl)-3-(1-methylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(cyclohex-3-en-1-ylmethyl)-3-(1-methylpiperidin-4-yl)urea
PubChem CID60593347
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-(cyclohex-3-en-1-ylmethyl)-3-(1-methylpiperidin-4-yl)urea
SMILESCN1CCC(NC(=O)NCC2CC=CCC2)CC1
InChIInChI=1S/C14H25N3O/c1-17-9-7-13(8-10-17)16-14(18)15-11-12-5-3-2-4-6-12/h2-3,12-13H,4-11H2,1H3,(H2,15,16,18)
InChIKeyFKBVCWVBWOZCHE-UHFFFAOYSA-N
XLogP1.74
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.74
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-(cyclohex-3-en-1-ylmethyl)-3-(1-methylpiperidin-4-yl)urea?
The IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-3-(1-methylpiperidin-4-yl)urea (CID 60593347) is 1-(cyclohex-3-en-1-ylmethyl)-3-(1-methylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(cyclohex-3-en-1-ylmethyl)-3-(1-methylpiperidin-4-yl)urea?
The canonical SMILES for 1-(cyclohex-3-en-1-ylmethyl)-3-(1-methylpiperidin-4-yl)urea is CN1CCC(NC(=O)NCC2CC=CCC2)CC1.
What is the InChIKey of 1-(cyclohex-3-en-1-ylmethyl)-3-(1-methylpiperidin-4-yl)urea?
The InChIKey is FKBVCWVBWOZCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-17-9-7-13(8-10-17)16-14(18)15-11-12-5-3-2-4-6-12/h2-3,12-13H,4-11H2,1H3,(H2,15,16,18).
What are the key properties of 1-(cyclohex-3-en-1-ylmethyl)-3-(1-methylpiperidin-4-yl)urea?
1-(cyclohex-3-en-1-ylmethyl)-3-(1-methylpiperidin-4-yl)urea has a molecular weight of 251.37 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohex-3-en-1-ylmethyl)-3-(1-methylpiperidin-4-yl)urea is sourced from PubChem (CID 60593347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).