1-methyl-1-(1-methylpiperidin-4-yl)-3-(oxan-4-ylidenemethyl)urea

C14H25N3O2 — CID 108913114

IUPAC1-methyl-1-(1-methylpiperidin-4-yl)-3-(oxan-4-ylidenemethyl)urea
SMILESCN1CCC(N(C)C(=O)NC=C2CCOCC2)CC1
InChIInChI=1S/C14H25N3O2/c1-16-7-3-13(4-8-16)17(2)14(18)15-11-12-5-9-19-10-6-12/h11,13H,3-10H2,1-2H3,(H,15,18)
InChIKeyLZAWMRSFKLIKLZ-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.42
Rot. Bonds2

About 1-methyl-1-(1-methylpiperidin-4-yl)-3-(oxan-4-ylidenemethyl)urea

1-methyl-1-(1-methylpiperidin-4-yl)-3-(oxan-4-ylidenemethyl)urea (PubChem CID 108913114) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-methyl-1-(1-methylpiperidin-4-yl)-3-(oxan-4-ylidenemethyl)urea.

Molecular Properties

Compound Name1-methyl-1-(1-methylpiperidin-4-yl)-3-(oxan-4-ylidenemethyl)urea
PubChem CID108913114
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-methyl-1-(1-methylpiperidin-4-yl)-3-(oxan-4-ylidenemethyl)urea
SMILESCN1CCC(N(C)C(=O)NC=C2CCOCC2)CC1
InChIInChI=1S/C14H25N3O2/c1-16-7-3-13(4-8-16)17(2)14(18)15-11-12-5-9-19-10-6-12/h11,13H,3-10H2,1-2H3,(H,15,18)
InChIKeyLZAWMRSFKLIKLZ-UHFFFAOYSA-N
XLogP1.42
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-1-(1-methylpiperidin-4-yl)-3-(oxan-4-ylidenemethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(1-methylpiperidin-4-yl)-3-(oxan-4-ylidenemethyl)urea?
The IUPAC name of 1-methyl-1-(1-methylpiperidin-4-yl)-3-(oxan-4-ylidenemethyl)urea (CID 108913114) is 1-methyl-1-(1-methylpiperidin-4-yl)-3-(oxan-4-ylidenemethyl)urea.
What is the SMILES notation for 1-methyl-1-(1-methylpiperidin-4-yl)-3-(oxan-4-ylidenemethyl)urea?
The canonical SMILES for 1-methyl-1-(1-methylpiperidin-4-yl)-3-(oxan-4-ylidenemethyl)urea is CN1CCC(N(C)C(=O)NC=C2CCOCC2)CC1.
What is the InChIKey of 1-methyl-1-(1-methylpiperidin-4-yl)-3-(oxan-4-ylidenemethyl)urea?
The InChIKey is LZAWMRSFKLIKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-16-7-3-13(4-8-16)17(2)14(18)15-11-12-5-9-19-10-6-12/h11,13H,3-10H2,1-2H3,(H,15,18).
What are the key properties of 1-methyl-1-(1-methylpiperidin-4-yl)-3-(oxan-4-ylidenemethyl)urea?
1-methyl-1-(1-methylpiperidin-4-yl)-3-(oxan-4-ylidenemethyl)urea has a molecular weight of 267.37 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(1-methylpiperidin-4-yl)-3-(oxan-4-ylidenemethyl)urea is sourced from PubChem (CID 108913114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).