[4-[[4-(ethoxymethyl)-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]urea

C24H33N3O2 — CID 135322566

IUPAC[4-[[4-(ethoxymethyl)-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]urea
SMILESCCOCC1(CCc2ccccc2)CCN(Cc2ccc(NC(N)=O)cc2)CC1
InChIInChI=1S/C24H33N3O2/c1-2-29-19-24(13-12-20-6-4-3-5-7-20)14-16-27(17-15-24)18-21-8-10-22(11-9-21)26-23(25)28/h3-11H,2,12-19H2,1H3,(H3,25,26,28)
InChIKeyHIRUMKHJSMYORF-UHFFFAOYSA-N
MW395.55 g/mol
LogP4.43
Rot. Bonds9

About [4-[[4-(ethoxymethyl)-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]urea

[4-[[4-(ethoxymethyl)-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]urea (PubChem CID 135322566) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is [4-[[4-(ethoxymethyl)-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]urea.

Molecular Properties

Compound Name[4-[[4-(ethoxymethyl)-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]urea
PubChem CID135322566
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name[4-[[4-(ethoxymethyl)-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]urea
SMILESCCOCC1(CCc2ccccc2)CCN(Cc2ccc(NC(N)=O)cc2)CC1
InChIInChI=1S/C24H33N3O2/c1-2-29-19-24(13-12-20-6-4-3-5-7-20)14-16-27(17-15-24)18-21-8-10-22(11-9-21)26-23(25)28/h3-11H,2,12-19H2,1H3,(H3,25,26,28)
InChIKeyHIRUMKHJSMYORF-UHFFFAOYSA-N
XLogP4.43
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-[[4-(ethoxymethyl)-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]urea with MolForge

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Related Compounds

N-[4-[[(3S)-3-(ethoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide
CID 135322598
N-[4-[[4-(ethoxymethyl)-4-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methyl]phenyl]acetamide
CID 135323023
2-chloro-4-[[4-(ethoxymethyl)-4-(2-phenylethyl)piperidin-1-yl]methyl]phenol
CID 162430253
2-[4-[[4-(ethoxymethyl)-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]-1,3,4-thiadiazole
CID 135322739
4-(ethoxymethyl)-4-(2-phenylethyl)-1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperidine
CID 140909132
2-[4-[[4-(ethoxymethyl)-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]-1,3,4-oxadiazole
CID 135322728
N-[4-[[4-[[acetyl(methyl)amino]methyl]-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]acetamide
CID 135322817
2-chloro-4-[[4-(ethoxymethyl)-4-(2-phenylethyl)piperidin-1-yl]methyl]phenol;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 175820909
[3-[[4-(ethoxymethyl)-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl] N-methylcarbamate;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 175820945
N-[4-[[4-[(2S)-oxetan-2-yl]-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]acetamide
CID 135329983
ethyl 1-[(4-methoxycarbonylphenyl)methyl]-4-(2-phenylethyl)piperidine-4-carboxylate
CID 23724015
N-[4-[[4-(2-phenylethyl)-4-pyridin-2-ylpiperidin-1-yl]methyl]phenyl]pentanamide
CID 140909133

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(ethoxymethyl)-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]urea?
The IUPAC name of [4-[[4-(ethoxymethyl)-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]urea (CID 135322566) is [4-[[4-(ethoxymethyl)-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]urea.
What is the SMILES notation for [4-[[4-(ethoxymethyl)-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]urea?
The canonical SMILES for [4-[[4-(ethoxymethyl)-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]urea is CCOCC1(CCc2ccccc2)CCN(Cc2ccc(NC(N)=O)cc2)CC1.
What is the InChIKey of [4-[[4-(ethoxymethyl)-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]urea?
The InChIKey is HIRUMKHJSMYORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-2-29-19-24(13-12-20-6-4-3-5-7-20)14-16-27(17-15-24)18-21-8-10-22(11-9-21)26-23(25)28/h3-11H,2,12-19H2,1H3,(H3,25,26,28).
What are the key properties of [4-[[4-(ethoxymethyl)-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]urea?
[4-[[4-(ethoxymethyl)-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]urea has a molecular weight of 395.55 g/mol, XLogP of 4.43, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(ethoxymethyl)-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]urea is sourced from PubChem (CID 135322566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).