1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-[[(3S)-1-methylpiperidin-3-yl]methyl]urea

C18H35N3O2 — CID 70024985

IUPAC1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-[[(3S)-1-methylpiperidin-3-yl]methyl]urea
SMILESCN1CCC[C@@H](CNC(=O)N(CCO)CCC2CCCCC2)C1
InChIInChI=1S/C18H35N3O2/c1-20-10-5-8-17(15-20)14-19-18(23)21(12-13-22)11-9-16-6-3-2-4-7-16/h16-17,22H,2-15H2,1H3,(H,19,23)/t17-/m0/s1
InChIKeyKSQKZFHVVIWUFO-KRWDZBQOSA-N
MW325.50 g/mol
LogP2.30
Rot. Bonds7

About 1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-[[(3S)-1-methylpiperidin-3-yl]methyl]urea

1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-[[(3S)-1-methylpiperidin-3-yl]methyl]urea (PubChem CID 70024985) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-[[(3S)-1-methylpiperidin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-[[(3S)-1-methylpiperidin-3-yl]methyl]urea
PubChem CID70024985
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC Name1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-[[(3S)-1-methylpiperidin-3-yl]methyl]urea
SMILESCN1CCC[C@@H](CNC(=O)N(CCO)CCC2CCCCC2)C1
InChIInChI=1S/C18H35N3O2/c1-20-10-5-8-17(15-20)14-19-18(23)21(12-13-22)11-9-16-6-3-2-4-7-16/h16-17,22H,2-15H2,1H3,(H,19,23)/t17-/m0/s1
InChIKeyKSQKZFHVVIWUFO-KRWDZBQOSA-N
XLogP2.30
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-[[(3S)-1-methylpiperidin-3-yl]methyl]urea?
The IUPAC name of 1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-[[(3S)-1-methylpiperidin-3-yl]methyl]urea (CID 70024985) is 1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-[[(3S)-1-methylpiperidin-3-yl]methyl]urea.
What is the SMILES notation for 1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-[[(3S)-1-methylpiperidin-3-yl]methyl]urea?
The canonical SMILES for 1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-[[(3S)-1-methylpiperidin-3-yl]methyl]urea is CN1CCC[C@@H](CNC(=O)N(CCO)CCC2CCCCC2)C1.
What is the InChIKey of 1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-[[(3S)-1-methylpiperidin-3-yl]methyl]urea?
The InChIKey is KSQKZFHVVIWUFO-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H35N3O2/c1-20-10-5-8-17(15-20)14-19-18(23)21(12-13-22)11-9-16-6-3-2-4-7-16/h16-17,22H,2-15H2,1H3,(H,19,23)/t17-/m0/s1.
What are the key properties of 1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-[[(3S)-1-methylpiperidin-3-yl]methyl]urea?
1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-[[(3S)-1-methylpiperidin-3-yl]methyl]urea has a molecular weight of 325.50 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-[[(3S)-1-methylpiperidin-3-yl]methyl]urea is sourced from PubChem (CID 70024985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).