[1-(3-hydroxy-3-methylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]urea

C12H23N3O3 — CID 115875377

IUPAC[1-(3-hydroxy-3-methylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]urea
SMILESCC(C)C(NC(N)=O)C(=O)N1CCCC(C)(O)C1
InChIInChI=1S/C12H23N3O3/c1-8(2)9(14-11(13)17)10(16)15-6-4-5-12(3,18)7-15/h8-9,18H,4-7H2,1-3H3,(H3,13,14,17)
InChIKeyNNSYTNQBTVHZPU-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.05
Rot. Bonds3

About [1-(3-hydroxy-3-methylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]urea

[1-(3-hydroxy-3-methylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]urea (PubChem CID 115875377) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is [1-(3-hydroxy-3-methylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]urea.

Molecular Properties

Compound Name[1-(3-hydroxy-3-methylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]urea
PubChem CID115875377
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name[1-(3-hydroxy-3-methylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]urea
SMILESCC(C)C(NC(N)=O)C(=O)N1CCCC(C)(O)C1
InChIInChI=1S/C12H23N3O3/c1-8(2)9(14-11(13)17)10(16)15-6-4-5-12(3,18)7-15/h8-9,18H,4-7H2,1-3H3,(H3,13,14,17)
InChIKeyNNSYTNQBTVHZPU-UHFFFAOYSA-N
XLogP0.05
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide
CID 53621941
(2R)-2-[(3R)-3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide
CID 95347612
(2S)-2-[(3R)-3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide
CID 95347613
(2S)-2-[(3S)-3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide
CID 100574465
(2R)-2-[(3S)-3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide
CID 100574473
(2S)-2-amino-N-[2-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-2-oxoethyl]-3-methylbutanamide;hydrochloride
CID 120168368
(2S)-2-amino-N-[2-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-2-oxoethyl]-3-methylbutanamide
CID 120168369
N-[(2S,3S)-1-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]acetamide
CID 132375892
(2S)-3-methyl-2-[(2-piperidin-1-ylacetyl)amino]butanoic acid
CID 39259498
2-[[4-Methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]amino]butanoic acid
CID 174450175
(2S)-3-methyl-2-[[methyl-[(3S)-piperidin-3-yl]carbamoyl]amino]butanoic acid
CID 175892956
2-[(3,5-Dimethylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 4976371

Frequently Asked Questions

What is the IUPAC name of [1-(3-hydroxy-3-methylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]urea?
The IUPAC name of [1-(3-hydroxy-3-methylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]urea (CID 115875377) is [1-(3-hydroxy-3-methylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]urea.
What is the SMILES notation for [1-(3-hydroxy-3-methylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]urea?
The canonical SMILES for [1-(3-hydroxy-3-methylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]urea is CC(C)C(NC(N)=O)C(=O)N1CCCC(C)(O)C1.
What is the InChIKey of [1-(3-hydroxy-3-methylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]urea?
The InChIKey is NNSYTNQBTVHZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-8(2)9(14-11(13)17)10(16)15-6-4-5-12(3,18)7-15/h8-9,18H,4-7H2,1-3H3,(H3,13,14,17).
What are the key properties of [1-(3-hydroxy-3-methylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]urea?
[1-(3-hydroxy-3-methylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]urea has a molecular weight of 257.33 g/mol, XLogP of 0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-hydroxy-3-methylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]urea is sourced from PubChem (CID 115875377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).