1-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methyl-2-piperidin-1-ylpropyl)urea

C16H33N3O2 — CID 111120835

IUPAC1-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methyl-2-piperidin-1-ylpropyl)urea
SMILESCC(C)C(C)(O)CNC(=O)NCC(C)(C)N1CCCCC1
InChIInChI=1S/C16H33N3O2/c1-13(2)16(5,21)12-18-14(20)17-11-15(3,4)19-9-7-6-8-10-19/h13,21H,6-12H2,1-5H3,(H2,17,18,20)
InChIKeyOAZYFYZDYVHBJA-UHFFFAOYSA-N
MW299.46 g/mol
LogP1.96
Rot. Bonds6

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

1-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methyl-2-piperidin-1-ylpropyl)urea (PubChem CID 111120835) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is 1-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methyl-2-piperidin-1-ylpropyl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methyl-2-piperidin-1-ylpropyl)urea
PubChem CID111120835
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC Name1-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methyl-2-piperidin-1-ylpropyl)urea
SMILESCC(C)C(C)(O)CNC(=O)NCC(C)(C)N1CCCCC1
InChIInChI=1S/C16H33N3O2/c1-13(2)16(5,21)12-18-14(20)17-11-15(3,4)19-9-7-6-8-10-19/h13,21H,6-12H2,1-5H3,(H2,17,18,20)
InChIKeyOAZYFYZDYVHBJA-UHFFFAOYSA-N
XLogP1.96
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxy-3-methylbutan-2-yl)-3-(2-methyl-2-piperidin-1-ylpropyl)urea
CID 111453991
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)urea
CID 111618380
1-(5-hydroxy-4,4-dimethylpentyl)-3-(2-methyl-2-piperidin-1-ylpropyl)urea
CID 111503992
N-(2-methyl-2-piperidin-1-ylpropyl)-2-methylsulfanylacetamide
CID 78785728
1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)urea
CID 110911642
methyl 2-methyl-3-[[N'-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)carbamimidoyl]amino]propanoate
CID 111321504
1-[(1S)-1-cyclopropylethyl]-1-methyl-3-(2-methyl-2-piperidin-1-ylpropyl)urea
CID 52505296
1-(2-methyl-2-piperidin-1-ylpropyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 55684161
tert-butyl N-[2-methyl-1-[[N'-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)carbamimidoyl]amino]propan-2-yl]carbamate
CID 111774992
1-(3-hydroxy-2-methylpropyl)-3-(2-methyl-2-morpholin-4-ylpropyl)urea
CID 86830885
2,2-dichloro-1-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)cyclopropane-1-carboxamide
CID 78785737
1-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-3-(2-methyl-2-pyrrolidin-1-ylpropyl)urea
CID 126435297

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methyl-2-piperidin-1-ylpropyl)urea?
The IUPAC name of 1-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methyl-2-piperidin-1-ylpropyl)urea (CID 111120835) is 1-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methyl-2-piperidin-1-ylpropyl)urea.
What is the SMILES notation for 1-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methyl-2-piperidin-1-ylpropyl)urea?
The canonical SMILES for 1-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methyl-2-piperidin-1-ylpropyl)urea is CC(C)C(C)(O)CNC(=O)NCC(C)(C)N1CCCCC1.
What is the InChIKey of 1-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methyl-2-piperidin-1-ylpropyl)urea?
The InChIKey is OAZYFYZDYVHBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-13(2)16(5,21)12-18-14(20)17-11-15(3,4)19-9-7-6-8-10-19/h13,21H,6-12H2,1-5H3,(H2,17,18,20).
What are the key properties of 1-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methyl-2-piperidin-1-ylpropyl)urea?
1-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methyl-2-piperidin-1-ylpropyl)urea has a molecular weight of 299.46 g/mol, XLogP of 1.96, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methyl-2-piperidin-1-ylpropyl)urea is sourced from PubChem (CID 111120835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).