1-(1-cyclohexylpiperidin-3-yl)-3-(4-hydroxy-2-methylbutyl)urea

C17H33N3O2 — CID 111506189

IUPAC1-(1-cyclohexylpiperidin-3-yl)-3-(4-hydroxy-2-methylbutyl)urea
SMILESCC(CCO)CNC(=O)NC1CCCN(C2CCCCC2)C1
InChIInChI=1S/C17H33N3O2/c1-14(9-11-21)12-18-17(22)19-15-6-5-10-20(13-15)16-7-3-2-4-8-16/h14-16,21H,2-13H2,1H3,(H2,18,19,22)
InChIKeyDDQGFQLPXYNNQW-UHFFFAOYSA-N
MW311.47 g/mol
LogP2.10
Rot. Bonds6

About 1-(1-cyclohexylpiperidin-3-yl)-3-(4-hydroxy-2-methylbutyl)urea

1-(1-cyclohexylpiperidin-3-yl)-3-(4-hydroxy-2-methylbutyl)urea (PubChem CID 111506189) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is 1-(1-cyclohexylpiperidin-3-yl)-3-(4-hydroxy-2-methylbutyl)urea.

Molecular Properties

Compound Name1-(1-cyclohexylpiperidin-3-yl)-3-(4-hydroxy-2-methylbutyl)urea
PubChem CID111506189
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Name1-(1-cyclohexylpiperidin-3-yl)-3-(4-hydroxy-2-methylbutyl)urea
SMILESCC(CCO)CNC(=O)NC1CCCN(C2CCCCC2)C1
InChIInChI=1S/C17H33N3O2/c1-14(9-11-21)12-18-17(22)19-15-6-5-10-20(13-15)16-7-3-2-4-8-16/h14-16,21H,2-13H2,1H3,(H2,18,19,22)
InChIKeyDDQGFQLPXYNNQW-UHFFFAOYSA-N
XLogP2.10
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-1-cycloheptylpiperidin-3-yl]-3-ethylurea
CID 42383897
1-(4-hydroxy-2-methylbutyl)-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
CID 111508663
N-[2-[(1-cyclohexylpiperidin-3-yl)carbamoylamino]ethyl]acetamide
CID 71932035
5-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]-4-methylpentanoic acid
CID 82014997
4-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]-3-methylbutanoic acid
CID 81069360
1-(1-cyclohexylpiperidin-3-yl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111111817
1-(1-cyclopentylpyrrolidin-3-yl)-3-(3-hydroxybutyl)urea
CID 111438964
ethyl 3-[[(3R)-1-cycloheptylpiperidin-3-yl]carbamoylamino]propanoate
CID 25384080
5-(cyclohexylcarbamoylamino)-4-methylpentanoic acid
CID 82684243
1-(1-cyclopentylpiperidin-4-yl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 111751536
N-[(3R)-1-cycloheptylpiperidin-3-yl]-2-methylsulfanylacetamide
CID 42567206
1-[(3S)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-3-[(2S)-4-hydroxy-2-methylbutyl]urea
CID 95936376

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylpiperidin-3-yl)-3-(4-hydroxy-2-methylbutyl)urea?
The IUPAC name of 1-(1-cyclohexylpiperidin-3-yl)-3-(4-hydroxy-2-methylbutyl)urea (CID 111506189) is 1-(1-cyclohexylpiperidin-3-yl)-3-(4-hydroxy-2-methylbutyl)urea.
What is the SMILES notation for 1-(1-cyclohexylpiperidin-3-yl)-3-(4-hydroxy-2-methylbutyl)urea?
The canonical SMILES for 1-(1-cyclohexylpiperidin-3-yl)-3-(4-hydroxy-2-methylbutyl)urea is CC(CCO)CNC(=O)NC1CCCN(C2CCCCC2)C1.
What is the InChIKey of 1-(1-cyclohexylpiperidin-3-yl)-3-(4-hydroxy-2-methylbutyl)urea?
The InChIKey is DDQGFQLPXYNNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-14(9-11-21)12-18-17(22)19-15-6-5-10-20(13-15)16-7-3-2-4-8-16/h14-16,21H,2-13H2,1H3,(H2,18,19,22).
What are the key properties of 1-(1-cyclohexylpiperidin-3-yl)-3-(4-hydroxy-2-methylbutyl)urea?
1-(1-cyclohexylpiperidin-3-yl)-3-(4-hydroxy-2-methylbutyl)urea has a molecular weight of 311.47 g/mol, XLogP of 2.10, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylpiperidin-3-yl)-3-(4-hydroxy-2-methylbutyl)urea is sourced from PubChem (CID 111506189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).