1-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-3-propan-2-ylurea

C19H31N3O2 — CID 14514755

IUPAC1-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCCCOc1cccc(CN2CCCCC2)c1
InChIInChI=1S/C19H31N3O2/c1-16(2)21-19(23)20-10-7-13-24-18-9-6-8-17(14-18)15-22-11-4-3-5-12-22/h6,8-9,14,16H,3-5,7,10-13,15H2,1-2H3,(H2,20,21,23)
InChIKeyMGZIWRVMBIZRMM-UHFFFAOYSA-N
MW333.48 g/mol
LogP3.15
Rot. Bonds8

About 1-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-3-propan-2-ylurea

1-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-3-propan-2-ylurea (PubChem CID 14514755) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 1-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-3-propan-2-ylurea
PubChem CID14514755
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name1-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCCCOc1cccc(CN2CCCCC2)c1
InChIInChI=1S/C19H31N3O2/c1-16(2)21-19(23)20-10-7-13-24-18-9-6-8-17(14-18)15-22-11-4-3-5-12-22/h6,8-9,14,16H,3-5,7,10-13,15H2,1-2H3,(H2,20,21,23)
InChIKeyMGZIWRVMBIZRMM-UHFFFAOYSA-N
XLogP3.15
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-3-propan-2-ylurea 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-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-3-propan-2-ylurea?
The IUPAC name of 1-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-3-propan-2-ylurea (CID 14514755) is 1-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-3-propan-2-ylurea is CC(C)NC(=O)NCCCOc1cccc(CN2CCCCC2)c1.
What is the InChIKey of 1-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-3-propan-2-ylurea?
The InChIKey is MGZIWRVMBIZRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-16(2)21-19(23)20-10-7-13-24-18-9-6-8-17(14-18)15-22-11-4-3-5-12-22/h6,8-9,14,16H,3-5,7,10-13,15H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-3-propan-2-ylurea?
1-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-3-propan-2-ylurea has a molecular weight of 333.48 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-3-propan-2-ylurea is sourced from PubChem (CID 14514755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).