1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-(3-piperidin-1-ylpropyl)urea

C19H37N3O2 — CID 15541416

IUPAC1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-(3-piperidin-1-ylpropyl)urea
SMILESO=C(NCCCN1CCCCC1)N(CCO)CCC1CCCCC1
InChIInChI=1S/C19H37N3O2/c23-17-16-22(15-10-18-8-3-1-4-9-18)19(24)20-11-7-14-21-12-5-2-6-13-21/h18,23H,1-17H2,(H,20,24)
InChIKeyYCXIDWOFMDURDQ-UHFFFAOYSA-N
MW339.52 g/mol
LogP2.84
Rot. Bonds9

About 1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-(3-piperidin-1-ylpropyl)urea

1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-(3-piperidin-1-ylpropyl)urea (PubChem CID 15541416) has the molecular formula C19H37N3O2 and a molecular weight of 339.52 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-(3-piperidin-1-ylpropyl)urea.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-(3-piperidin-1-ylpropyl)urea
PubChem CID15541416
Molecular FormulaC19H37N3O2
Molecular Weight339.52 g/mol
Exact Mass339.29
IUPAC Name1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-(3-piperidin-1-ylpropyl)urea
SMILESO=C(NCCCN1CCCCC1)N(CCO)CCC1CCCCC1
InChIInChI=1S/C19H37N3O2/c23-17-16-22(15-10-18-8-3-1-4-9-18)19(24)20-11-7-14-21-12-5-2-6-13-21/h18,23H,1-17H2,(H,20,24)
InChIKeyYCXIDWOFMDURDQ-UHFFFAOYSA-N
XLogP2.84
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.52
LogP ≤ 52.84
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-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]urea
CID 70023388
1-(2-cyclohexylethyl)-3-ethyl-1-(2-hydroxyethyl)urea
CID 150984877
3-(3-cyclopentylpropyl)-1-ethyl-1-(2-hydroxyethyl)urea
CID 110896342
2-[carboxymethyl(3-pyrrolidin-1-ylpropylcarbamoyl)amino]acetic acid
CID 63646345
4-cyclohexyl-N-[3-[4-[3-(4-cyclohexylbutanoylamino)propyl]piperazin-1-yl]propyl]butanamide
CID 70429171
2-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]ethanol
CID 57255409
1-(3-cyclohexylpropyl)piperidine
CID 21333467
1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-[1-(4-methylpiperazine-1-carbonyl)cyclopentyl]urea
CID 22723040
1-(2-cyclohexylethyl)-1-(3-cyclohexylpropyl)-3-(3-pyridin-4-ylpropyl)urea
CID 46911012
2-(3-pyrrolidin-1-ylpropylcarbamoyl)cyclohexane-1-carboxylic acid
CID 43579840
2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(3-piperidin-1-ylpropyl)acetamide
CID 46295224
1-cyclopropyl-3-(3-piperidin-1-ylpropyl)urea
CID 55457976

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-(3-piperidin-1-ylpropyl)urea?
The IUPAC name of 1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-(3-piperidin-1-ylpropyl)urea (CID 15541416) is 1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-(3-piperidin-1-ylpropyl)urea.
What is the SMILES notation for 1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-(3-piperidin-1-ylpropyl)urea?
The canonical SMILES for 1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-(3-piperidin-1-ylpropyl)urea is O=C(NCCCN1CCCCC1)N(CCO)CCC1CCCCC1.
What is the InChIKey of 1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-(3-piperidin-1-ylpropyl)urea?
The InChIKey is YCXIDWOFMDURDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O2/c23-17-16-22(15-10-18-8-3-1-4-9-18)19(24)20-11-7-14-21-12-5-2-6-13-21/h18,23H,1-17H2,(H,20,24).
What are the key properties of 1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-(3-piperidin-1-ylpropyl)urea?
1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-(3-piperidin-1-ylpropyl)urea has a molecular weight of 339.52 g/mol, XLogP of 2.84, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-(3-piperidin-1-ylpropyl)urea is sourced from PubChem (CID 15541416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).