1,1-diethyl-3-(2-piperidin-4-yloxyethyl)urea

C12H25N3O2 — CID 79161980

IUPAC1,1-diethyl-3-(2-piperidin-4-yloxyethyl)urea
SMILESCCN(CC)C(=O)NCCOC1CCNCC1
InChIInChI=1S/C12H25N3O2/c1-3-15(4-2)12(16)14-9-10-17-11-5-7-13-8-6-11/h11,13H,3-10H2,1-2H3,(H,14,16)
InChIKeyOHLVDTFPVDUTNK-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.81
Rot. Bonds6

About 1,1-diethyl-3-(2-piperidin-4-yloxyethyl)urea

1,1-diethyl-3-(2-piperidin-4-yloxyethyl)urea (PubChem CID 79161980) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1,1-diethyl-3-(2-piperidin-4-yloxyethyl)urea.

Molecular Properties

Compound Name1,1-diethyl-3-(2-piperidin-4-yloxyethyl)urea
PubChem CID79161980
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name1,1-diethyl-3-(2-piperidin-4-yloxyethyl)urea
SMILESCCN(CC)C(=O)NCCOC1CCNCC1
InChIInChI=1S/C12H25N3O2/c1-3-15(4-2)12(16)14-9-10-17-11-5-7-13-8-6-11/h11,13H,3-10H2,1-2H3,(H,14,16)
InChIKeyOHLVDTFPVDUTNK-UHFFFAOYSA-N
XLogP0.81
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-3-(2-piperidin-4-yloxyethyl)urea
CID 55252329
2-[2-cyclohexyloxyethylcarbamoyl(ethyl)amino]acetic acid
CID 63834419
3-[2-cyclopentyloxyethylcarbamoyl(ethyl)amino]-2-methylpropanoic acid
CID 63834760
2,2,2-trifluoro-N-(2-piperidin-4-yloxyethyl)acetamide
CID 63869260
2-methylpropyl N-(2-piperidin-4-yloxyethyl)carbamate
CID 63871589
N-[2-[ethyl(methyl)amino]ethyl]-3-piperidin-4-yloxypropanamide
CID 63902801
N-(2-piperidin-4-yloxyethyl)cyclopent-3-ene-1-carboxamide
CID 64767379
4-ethyl-N-(2-piperidin-4-yloxyethyl)benzamide
CID 63869936
(2S)-N-(2-piperidin-4-yloxyethyl)oxolane-2-carboxamide
CID 104856278
N-(2-cyclopentyloxyethyl)piperidine-4-carboxamide
CID 63828643
ethyl 2-(2-piperidin-4-yloxyethylamino)acetate
CID 176582615
3,4,4-trimethyl-N-(2-piperidin-4-yloxyethyl)pentanamide
CID 55251825

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-(2-piperidin-4-yloxyethyl)urea?
The IUPAC name of 1,1-diethyl-3-(2-piperidin-4-yloxyethyl)urea (CID 79161980) is 1,1-diethyl-3-(2-piperidin-4-yloxyethyl)urea.
What is the SMILES notation for 1,1-diethyl-3-(2-piperidin-4-yloxyethyl)urea?
The canonical SMILES for 1,1-diethyl-3-(2-piperidin-4-yloxyethyl)urea is CCN(CC)C(=O)NCCOC1CCNCC1.
What is the InChIKey of 1,1-diethyl-3-(2-piperidin-4-yloxyethyl)urea?
The InChIKey is OHLVDTFPVDUTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-3-15(4-2)12(16)14-9-10-17-11-5-7-13-8-6-11/h11,13H,3-10H2,1-2H3,(H,14,16).
What are the key properties of 1,1-diethyl-3-(2-piperidin-4-yloxyethyl)urea?
1,1-diethyl-3-(2-piperidin-4-yloxyethyl)urea has a molecular weight of 243.35 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-(2-piperidin-4-yloxyethyl)urea is sourced from PubChem (CID 79161980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).