1-butyl-3-(2-piperidin-4-yloxyethyl)urea

C12H25N3O2 — CID 55252329

IUPAC1-butyl-3-(2-piperidin-4-yloxyethyl)urea
SMILESCCCCNC(=O)NCCOC1CCNCC1
InChIInChI=1S/C12H25N3O2/c1-2-3-6-14-12(16)15-9-10-17-11-4-7-13-8-5-11/h11,13H,2-10H2,1H3,(H2,14,15,16)
InChIKeyJIVWBWZTGLUWQI-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.85
Rot. Bonds7

About 1-butyl-3-(2-piperidin-4-yloxyethyl)urea

1-butyl-3-(2-piperidin-4-yloxyethyl)urea (PubChem CID 55252329) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-butyl-3-(2-piperidin-4-yloxyethyl)urea.

Molecular Properties

Compound Name1-butyl-3-(2-piperidin-4-yloxyethyl)urea
PubChem CID55252329
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name1-butyl-3-(2-piperidin-4-yloxyethyl)urea
SMILESCCCCNC(=O)NCCOC1CCNCC1
InChIInChI=1S/C12H25N3O2/c1-2-3-6-14-12(16)15-9-10-17-11-4-7-13-8-5-11/h11,13H,2-10H2,1H3,(H2,14,15,16)
InChIKeyJIVWBWZTGLUWQI-UHFFFAOYSA-N
XLogP0.85
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-butyl-3-(2-piperidin-4-yloxyethyl)urea with MolForge

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

Launch Full Analysis

Related Compounds

1,1-diethyl-3-(2-piperidin-4-yloxyethyl)urea
CID 79161980
3-piperidin-4-yloxypropylcarbamic acid
CID 166772010
4-pentoxypiperidine
CID 43167830
2-ethoxy-N-(3-piperidin-4-yloxypropyl)acetamide
CID 55252228
2,2,2-trifluoro-N-(2-piperidin-4-yloxyethyl)acetamide
CID 63869260
2-methylpropyl N-(2-piperidin-4-yloxyethyl)carbamate
CID 63871589
2-methoxy-N-(3-piperidin-4-yloxypropyl)acetamide
CID 63871786
N-(3-piperidin-4-yloxypropyl)but-2-enamide
CID 77009028
1-(4-methoxyphenyl)-3-(2-piperidin-4-yloxyethyl)urea
CID 63871420
1-[3-(4-aminocyclohexyl)oxypropyl]-3-propylurea
CID 63870768
N-(2-piperidin-4-yloxyethyl)cyclopent-3-ene-1-carboxamide
CID 64767379
4-ethyl-N-(2-piperidin-4-yloxyethyl)benzamide
CID 63869936

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(2-piperidin-4-yloxyethyl)urea?
The IUPAC name of 1-butyl-3-(2-piperidin-4-yloxyethyl)urea (CID 55252329) is 1-butyl-3-(2-piperidin-4-yloxyethyl)urea.
What is the SMILES notation for 1-butyl-3-(2-piperidin-4-yloxyethyl)urea?
The canonical SMILES for 1-butyl-3-(2-piperidin-4-yloxyethyl)urea is CCCCNC(=O)NCCOC1CCNCC1.
What is the InChIKey of 1-butyl-3-(2-piperidin-4-yloxyethyl)urea?
The InChIKey is JIVWBWZTGLUWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-2-3-6-14-12(16)15-9-10-17-11-4-7-13-8-5-11/h11,13H,2-10H2,1H3,(H2,14,15,16).
What are the key properties of 1-butyl-3-(2-piperidin-4-yloxyethyl)urea?
1-butyl-3-(2-piperidin-4-yloxyethyl)urea has a molecular weight of 243.35 g/mol, XLogP of 0.85, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(2-piperidin-4-yloxyethyl)urea is sourced from PubChem (CID 55252329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).