1-[(1-ethylpiperidin-4-yl)methyl]-3-(2-methoxy-3-pyridinyl)urea

C15H24N4O2 — CID 47076642

IUPAC1-[(1-ethylpiperidin-4-yl)methyl]-3-(2-methoxy-3-pyridinyl)urea
SMILESCCN1CCC(CNC(=O)Nc2cccnc2OC)CC1
InChIInChI=1S/C15H24N4O2/c1-3-19-9-6-12(7-10-19)11-17-15(20)18-13-5-4-8-16-14(13)21-2/h4-5,8,12H,3,6-7,9-11H2,1-2H3,(H2,17,18,20)
InChIKeyRBWCJJRQTYQNSG-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.94
Rot. Bonds5

About 1-[(1-ethylpiperidin-4-yl)methyl]-3-(2-methoxy-3-pyridinyl)urea

1-[(1-ethylpiperidin-4-yl)methyl]-3-(2-methoxy-3-pyridinyl)urea (PubChem CID 47076642) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[(1-ethylpiperidin-4-yl)methyl]-3-(2-methoxy-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[(1-ethylpiperidin-4-yl)methyl]-3-(2-methoxy-3-pyridinyl)urea
PubChem CID47076642
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name1-[(1-ethylpiperidin-4-yl)methyl]-3-(2-methoxy-3-pyridinyl)urea
SMILESCCN1CCC(CNC(=O)Nc2cccnc2OC)CC1
InChIInChI=1S/C15H24N4O2/c1-3-19-9-6-12(7-10-19)11-17-15(20)18-13-5-4-8-16-14(13)21-2/h4-5,8,12H,3,6-7,9-11H2,1-2H3,(H2,17,18,20)
InChIKeyRBWCJJRQTYQNSG-UHFFFAOYSA-N
XLogP1.94
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(1-ethylpiperidin-4-yl)methyl]-3-(2-methoxy-3-pyridinyl)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-[(1-ethylpiperidin-4-yl)methyl]-3-(2-methoxy-3-pyridinyl)urea?
The IUPAC name of 1-[(1-ethylpiperidin-4-yl)methyl]-3-(2-methoxy-3-pyridinyl)urea (CID 47076642) is 1-[(1-ethylpiperidin-4-yl)methyl]-3-(2-methoxy-3-pyridinyl)urea.
What is the SMILES notation for 1-[(1-ethylpiperidin-4-yl)methyl]-3-(2-methoxy-3-pyridinyl)urea?
The canonical SMILES for 1-[(1-ethylpiperidin-4-yl)methyl]-3-(2-methoxy-3-pyridinyl)urea is CCN1CCC(CNC(=O)Nc2cccnc2OC)CC1.
What is the InChIKey of 1-[(1-ethylpiperidin-4-yl)methyl]-3-(2-methoxy-3-pyridinyl)urea?
The InChIKey is RBWCJJRQTYQNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-3-19-9-6-12(7-10-19)11-17-15(20)18-13-5-4-8-16-14(13)21-2/h4-5,8,12H,3,6-7,9-11H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-[(1-ethylpiperidin-4-yl)methyl]-3-(2-methoxy-3-pyridinyl)urea?
1-[(1-ethylpiperidin-4-yl)methyl]-3-(2-methoxy-3-pyridinyl)urea has a molecular weight of 292.38 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpiperidin-4-yl)methyl]-3-(2-methoxy-3-pyridinyl)urea is sourced from PubChem (CID 47076642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).