[1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]urea

C12H23N3O3 — CID 43391802

IUPAC[1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]urea
SMILESCCC(C)C(NC(N)=O)C(=O)N1CCC(O)CC1
InChIInChI=1S/C12H23N3O3/c1-3-8(2)10(14-12(13)18)11(17)15-6-4-9(16)5-7-15/h8-10,16H,3-7H2,1-2H3,(H3,13,14,18)
InChIKeyTZBHNBKAYPJTOK-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.05
Rot. Bonds4

About [1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]urea

[1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]urea (PubChem CID 43391802) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is [1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]urea.

Molecular Properties

Compound Name[1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]urea
PubChem CID43391802
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name[1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]urea
SMILESCCC(C)C(NC(N)=O)C(=O)N1CCC(O)CC1
InChIInChI=1S/C12H23N3O3/c1-3-8(2)10(14-12(13)18)11(17)15-6-4-9(16)5-7-15/h8-10,16H,3-7H2,1-2H3,(H3,13,14,18)
InChIKeyTZBHNBKAYPJTOK-UHFFFAOYSA-N
XLogP0.05
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
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

Analyze [1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]urea with MolForge

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Related Compounds

(3-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl)urea
CID 60634981
(3-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl)urea
CID 60634937
[1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]urea
CID 112627448
[(2S,3S)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]urea
CID 41307290
1-[2-(carbamoylamino)-3-methylpentanoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63720993
[1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]urea
CID 4282020
[(2S,3S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]urea
CID 7918845
(2S,4S)-1-[2-(carbamoylamino)-3-methylpentanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64714057
1-[2-(carbamoylamino)-3-methylpentanoyl]piperidine-2-carboxylic acid
CID 43171082
2-[4-[2-(carbamoylamino)-3-methylpentanoyl]morpholin-2-yl]acetic acid
CID 66420571
[(2S)-1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamic acid
CID 67529442
N-[1-(4-aminopiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]-4-chlorobenzamide
CID 119372812

Frequently Asked Questions

What is the IUPAC name of [1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]urea?
The IUPAC name of [1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]urea (CID 43391802) is [1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]urea.
What is the SMILES notation for [1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]urea?
The canonical SMILES for [1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]urea is CCC(C)C(NC(N)=O)C(=O)N1CCC(O)CC1.
What is the InChIKey of [1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]urea?
The InChIKey is TZBHNBKAYPJTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-3-8(2)10(14-12(13)18)11(17)15-6-4-9(16)5-7-15/h8-10,16H,3-7H2,1-2H3,(H3,13,14,18).
What are the key properties of [1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]urea?
[1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]urea has a molecular weight of 257.33 g/mol, XLogP of 0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]urea is sourced from PubChem (CID 43391802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).