1-(2-hydroxy-3-methylpentyl)-3-(2-methyl-3-piperidin-1-ylpropyl)urea

C16H33N3O2 — CID 111338197

IUPAC1-(2-hydroxy-3-methylpentyl)-3-(2-methyl-3-piperidin-1-ylpropyl)urea
SMILESCCC(C)C(O)CNC(=O)NCC(C)CN1CCCCC1
InChIInChI=1S/C16H33N3O2/c1-4-14(3)15(20)11-18-16(21)17-10-13(2)12-19-8-6-5-7-9-19/h13-15,20H,4-12H2,1-3H3,(H2,17,18,21)
InChIKeyOCEQOYYCKRTVIS-UHFFFAOYSA-N
MW299.46 g/mol
LogP1.81
Rot. Bonds8

About 1-(2-hydroxy-3-methylpentyl)-3-(2-methyl-3-piperidin-1-ylpropyl)urea

1-(2-hydroxy-3-methylpentyl)-3-(2-methyl-3-piperidin-1-ylpropyl)urea (PubChem CID 111338197) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is 1-(2-hydroxy-3-methylpentyl)-3-(2-methyl-3-piperidin-1-ylpropyl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-3-methylpentyl)-3-(2-methyl-3-piperidin-1-ylpropyl)urea
PubChem CID111338197
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC Name1-(2-hydroxy-3-methylpentyl)-3-(2-methyl-3-piperidin-1-ylpropyl)urea
SMILESCCC(C)C(O)CNC(=O)NCC(C)CN1CCCCC1
InChIInChI=1S/C16H33N3O2/c1-4-14(3)15(20)11-18-16(21)17-10-13(2)12-19-8-6-5-7-9-19/h13-15,20H,4-12H2,1-3H3,(H2,17,18,21)
InChIKeyOCEQOYYCKRTVIS-UHFFFAOYSA-N
XLogP1.81
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]methyl]pentanoic acid
CID 81067259
2-methoxy-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid
CID 106110143
3-methyl-2-[[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]methyl]butanoic acid
CID 65226844
N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 61062993
1-(2-cyclopentylethyl)-3-(2-methyl-3-piperidin-1-ylpropyl)urea
CID 55933177
2-(ethylamino)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 62993703
methyl 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-2-oxoacetate
CID 112617205
2-methoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 61061515
2-methyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]butanoic acid
CID 79800845
2-hydroxy-2-methyl-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid
CID 66175959
2-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 62060304
ethyl 4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-4-oxobutanoate
CID 61243779

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-methylpentyl)-3-(2-methyl-3-piperidin-1-ylpropyl)urea?
The IUPAC name of 1-(2-hydroxy-3-methylpentyl)-3-(2-methyl-3-piperidin-1-ylpropyl)urea (CID 111338197) is 1-(2-hydroxy-3-methylpentyl)-3-(2-methyl-3-piperidin-1-ylpropyl)urea.
What is the SMILES notation for 1-(2-hydroxy-3-methylpentyl)-3-(2-methyl-3-piperidin-1-ylpropyl)urea?
The canonical SMILES for 1-(2-hydroxy-3-methylpentyl)-3-(2-methyl-3-piperidin-1-ylpropyl)urea is CCC(C)C(O)CNC(=O)NCC(C)CN1CCCCC1.
What is the InChIKey of 1-(2-hydroxy-3-methylpentyl)-3-(2-methyl-3-piperidin-1-ylpropyl)urea?
The InChIKey is OCEQOYYCKRTVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-4-14(3)15(20)11-18-16(21)17-10-13(2)12-19-8-6-5-7-9-19/h13-15,20H,4-12H2,1-3H3,(H2,17,18,21).
What are the key properties of 1-(2-hydroxy-3-methylpentyl)-3-(2-methyl-3-piperidin-1-ylpropyl)urea?
1-(2-hydroxy-3-methylpentyl)-3-(2-methyl-3-piperidin-1-ylpropyl)urea has a molecular weight of 299.46 g/mol, XLogP of 1.81, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-methylpentyl)-3-(2-methyl-3-piperidin-1-ylpropyl)urea is sourced from PubChem (CID 111338197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).