1-(2-ethyl-2-hydroxybutyl)-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]urea

C20H33N3O2 — CID 110910101

IUPAC1-(2-ethyl-2-hydroxybutyl)-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]urea
SMILESCCC(O)(CC)CNC(=O)NC1CCN(Cc2ccccc2C)CC1
InChIInChI=1S/C20H33N3O2/c1-4-20(25,5-2)15-21-19(24)22-18-10-12-23(13-11-18)14-17-9-7-6-8-16(17)3/h6-9,18,25H,4-5,10-15H2,1-3H3,(H2,21,22,24)
InChIKeyNYULUWDXYRUNHD-UHFFFAOYSA-N
MW347.50 g/mol
LogP2.81
Rot. Bonds7

About 1-(2-ethyl-2-hydroxybutyl)-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]urea

1-(2-ethyl-2-hydroxybutyl)-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]urea (PubChem CID 110910101) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is 1-(2-ethyl-2-hydroxybutyl)-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(2-ethyl-2-hydroxybutyl)-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]urea
PubChem CID110910101
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name1-(2-ethyl-2-hydroxybutyl)-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]urea
SMILESCCC(O)(CC)CNC(=O)NC1CCN(Cc2ccccc2C)CC1
InChIInChI=1S/C20H33N3O2/c1-4-20(25,5-2)15-21-19(24)22-18-10-12-23(13-11-18)14-17-9-7-6-8-16(17)3/h6-9,18,25H,4-5,10-15H2,1-3H3,(H2,21,22,24)
InChIKeyNYULUWDXYRUNHD-UHFFFAOYSA-N
XLogP2.81
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(2-ethyl-2-hydroxybutyl)-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-ethyl-2-hydroxybutyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 136579762
1-(2-ethyl-2-hydroxybutyl)-3-(1-propylpiperidin-4-yl)urea
CID 111508133
1-(2-ethyl-2-hydroxybutyl)-3-[1-(1-phenylethyl)piperidin-4-yl]urea
CID 111422903
2-acetamido-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]propanamide
CID 87020158
1-cyclohexyl-3-[4-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-4-oxobutyl]urea
CID 30345483
2-(2-butan-2-ylphenoxy)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide
CID 55753957
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]methanesulfonamide
CID 47134698
1-cyclobutyl-3-(2-ethyl-2-hydroxybutyl)urea
CID 115642262
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]furan-3-carboxamide
CID 136577828
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-4-morpholin-4-yl-4-oxobutanamide
CID 136577829
2-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]carbamoylamino]-N,2-diphenylacetamide
CID 55911896
N-(cyclohexylcarbamoyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 30649050

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-2-hydroxybutyl)-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]urea?
The IUPAC name of 1-(2-ethyl-2-hydroxybutyl)-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]urea (CID 110910101) is 1-(2-ethyl-2-hydroxybutyl)-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]urea.
What is the SMILES notation for 1-(2-ethyl-2-hydroxybutyl)-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]urea?
The canonical SMILES for 1-(2-ethyl-2-hydroxybutyl)-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]urea is CCC(O)(CC)CNC(=O)NC1CCN(Cc2ccccc2C)CC1.
What is the InChIKey of 1-(2-ethyl-2-hydroxybutyl)-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]urea?
The InChIKey is NYULUWDXYRUNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-4-20(25,5-2)15-21-19(24)22-18-10-12-23(13-11-18)14-17-9-7-6-8-16(17)3/h6-9,18,25H,4-5,10-15H2,1-3H3,(H2,21,22,24).
What are the key properties of 1-(2-ethyl-2-hydroxybutyl)-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]urea?
1-(2-ethyl-2-hydroxybutyl)-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]urea has a molecular weight of 347.50 g/mol, XLogP of 2.81, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-2-hydroxybutyl)-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]urea is sourced from PubChem (CID 110910101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).