1-(4-hydroxy-3-methylbutan-2-yl)-3-(2-methyl-2-piperidin-1-ylpropyl)urea

C15H31N3O2 — CID 111453991

IUPAC1-(4-hydroxy-3-methylbutan-2-yl)-3-(2-methyl-2-piperidin-1-ylpropyl)urea
SMILESCC(CO)C(C)NC(=O)NCC(C)(C)N1CCCCC1
InChIInChI=1S/C15H31N3O2/c1-12(10-19)13(2)17-14(20)16-11-15(3,4)18-8-6-5-7-9-18/h12-13,19H,5-11H2,1-4H3,(H2,16,17,20)
InChIKeyPAIQNIMKGOVCRI-UHFFFAOYSA-N
MW285.43 g/mol
LogP1.57
Rot. Bonds6

About 1-(4-hydroxy-3-methylbutan-2-yl)-3-(2-methyl-2-piperidin-1-ylpropyl)urea

1-(4-hydroxy-3-methylbutan-2-yl)-3-(2-methyl-2-piperidin-1-ylpropyl)urea (PubChem CID 111453991) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 1-(4-hydroxy-3-methylbutan-2-yl)-3-(2-methyl-2-piperidin-1-ylpropyl)urea.

Molecular Properties

Compound Name1-(4-hydroxy-3-methylbutan-2-yl)-3-(2-methyl-2-piperidin-1-ylpropyl)urea
PubChem CID111453991
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name1-(4-hydroxy-3-methylbutan-2-yl)-3-(2-methyl-2-piperidin-1-ylpropyl)urea
SMILESCC(CO)C(C)NC(=O)NCC(C)(C)N1CCCCC1
InChIInChI=1S/C15H31N3O2/c1-12(10-19)13(2)17-14(20)16-11-15(3,4)18-8-6-5-7-9-18/h12-13,19H,5-11H2,1-4H3,(H2,16,17,20)
InChIKeyPAIQNIMKGOVCRI-UHFFFAOYSA-N
XLogP1.57
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methyl-2-piperidin-1-ylpropyl)urea
CID 111120835
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
1-(3-hydroxy-2-methylpropyl)-3-(2-methyl-2-morpholin-4-ylpropyl)urea
CID 86830885
1-[(1S)-1-cyclopropylethyl]-1-methyl-3-(2-methyl-2-piperidin-1-ylpropyl)urea
CID 52505296
1-[[3-(azepan-1-ylmethyl)phenyl]methyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111454985
1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea
CID 111454418
1-(4-hydroxy-2,2-dimethylbutyl)-3-(1-piperidin-1-ylpropan-2-yl)urea
CID 111504674
2,2-dichloro-1-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)cyclopropane-1-carboxamide
CID 78785737
1-(4-hydroxy-3-methylbutan-2-yl)-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)urea
CID 111454012

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-3-methylbutan-2-yl)-3-(2-methyl-2-piperidin-1-ylpropyl)urea?
The IUPAC name of 1-(4-hydroxy-3-methylbutan-2-yl)-3-(2-methyl-2-piperidin-1-ylpropyl)urea (CID 111453991) is 1-(4-hydroxy-3-methylbutan-2-yl)-3-(2-methyl-2-piperidin-1-ylpropyl)urea.
What is the SMILES notation for 1-(4-hydroxy-3-methylbutan-2-yl)-3-(2-methyl-2-piperidin-1-ylpropyl)urea?
The canonical SMILES for 1-(4-hydroxy-3-methylbutan-2-yl)-3-(2-methyl-2-piperidin-1-ylpropyl)urea is CC(CO)C(C)NC(=O)NCC(C)(C)N1CCCCC1.
What is the InChIKey of 1-(4-hydroxy-3-methylbutan-2-yl)-3-(2-methyl-2-piperidin-1-ylpropyl)urea?
The InChIKey is PAIQNIMKGOVCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-12(10-19)13(2)17-14(20)16-11-15(3,4)18-8-6-5-7-9-18/h12-13,19H,5-11H2,1-4H3,(H2,16,17,20).
What are the key properties of 1-(4-hydroxy-3-methylbutan-2-yl)-3-(2-methyl-2-piperidin-1-ylpropyl)urea?
1-(4-hydroxy-3-methylbutan-2-yl)-3-(2-methyl-2-piperidin-1-ylpropyl)urea has a molecular weight of 285.43 g/mol, XLogP of 1.57, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-3-methylbutan-2-yl)-3-(2-methyl-2-piperidin-1-ylpropyl)urea is sourced from PubChem (CID 111453991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).