[2-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]urea

C13H25N3O4 — CID 97136708

IUPAC[2-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]urea
SMILESCOCCC[C@]1(CO)CCCN(C(=O)CNC(N)=O)C1
InChIInChI=1S/C13H25N3O4/c1-20-7-3-5-13(10-17)4-2-6-16(9-13)11(18)8-15-12(14)19/h17H,2-10H2,1H3,(H3,14,15,19)/t13-/m1/s1
InChIKeyGJNWILFRBYQHKO-CYBMUJFWSA-N
MW287.36 g/mol
LogP-0.32
Rot. Bonds7

About [2-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]urea

[2-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]urea (PubChem CID 97136708) has the molecular formula C13H25N3O4 and a molecular weight of 287.36 g/mol. Its IUPAC name is [2-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]urea.

Molecular Properties

Compound Name[2-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]urea
PubChem CID97136708
Molecular FormulaC13H25N3O4
Molecular Weight287.36 g/mol
Exact Mass287.18
IUPAC Name[2-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]urea
SMILESCOCCC[C@]1(CO)CCCN(C(=O)CNC(N)=O)C1
InChIInChI=1S/C13H25N3O4/c1-20-7-3-5-13(10-17)4-2-6-16(9-13)11(18)8-15-12(14)19/h17H,2-10H2,1H3,(H3,14,15,19)/t13-/m1/s1
InChIKeyGJNWILFRBYQHKO-CYBMUJFWSA-N
XLogP-0.32
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]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 [2-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]urea?
The IUPAC name of [2-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]urea (CID 97136708) is [2-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]urea.
What is the SMILES notation for [2-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]urea?
The canonical SMILES for [2-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]urea is COCCC[C@]1(CO)CCCN(C(=O)CNC(N)=O)C1.
What is the InChIKey of [2-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]urea?
The InChIKey is GJNWILFRBYQHKO-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H25N3O4/c1-20-7-3-5-13(10-17)4-2-6-16(9-13)11(18)8-15-12(14)19/h17H,2-10H2,1H3,(H3,14,15,19)/t13-/m1/s1.
What are the key properties of [2-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]urea?
[2-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]urea has a molecular weight of 287.36 g/mol, XLogP of -0.32, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]urea is sourced from PubChem (CID 97136708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).