1-benzyl-3-(1-cyclopentylpiperidin-4-yl)-1-(2-hydroxyethyl)urea

C20H31N3O2 — CID 111751499

IUPAC1-benzyl-3-(1-cyclopentylpiperidin-4-yl)-1-(2-hydroxyethyl)urea
SMILESO=C(NC1CCN(C2CCCC2)CC1)N(CCO)Cc1ccccc1
InChIInChI=1S/C20H31N3O2/c24-15-14-23(16-17-6-2-1-3-7-17)20(25)21-18-10-12-22(13-11-18)19-8-4-5-9-19/h1-3,6-7,18-19,24H,4-5,8-16H2,(H,21,25)
InChIKeyGYVKTHBYHCAXIS-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.60
Rot. Bonds6

About 1-benzyl-3-(1-cyclopentylpiperidin-4-yl)-1-(2-hydroxyethyl)urea

1-benzyl-3-(1-cyclopentylpiperidin-4-yl)-1-(2-hydroxyethyl)urea (PubChem CID 111751499) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 1-benzyl-3-(1-cyclopentylpiperidin-4-yl)-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-benzyl-3-(1-cyclopentylpiperidin-4-yl)-1-(2-hydroxyethyl)urea
PubChem CID111751499
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name1-benzyl-3-(1-cyclopentylpiperidin-4-yl)-1-(2-hydroxyethyl)urea
SMILESO=C(NC1CCN(C2CCCC2)CC1)N(CCO)Cc1ccccc1
InChIInChI=1S/C20H31N3O2/c24-15-14-23(16-17-6-2-1-3-7-17)20(25)21-18-10-12-22(13-11-18)19-8-4-5-9-19/h1-3,6-7,18-19,24H,4-5,8-16H2,(H,21,25)
InChIKeyGYVKTHBYHCAXIS-UHFFFAOYSA-N
XLogP2.60
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-(1-cyclopropylpiperidin-4-yl)-1-(2,2-difluoroethyl)urea
CID 71919617
1-[(4-fluorophenyl)methyl]-1-(2-hydroxyethyl)-3-[1-(2-phenylethyl)piperidin-4-yl]urea
CID 131945389
1-benzyl-3-cyclohex-3-en-1-yl-1-(2-hydroxyethyl)urea
CID 111435351
1-benzyl-1-(2-cyanoethyl)-3-cyclohexylurea
CID 4685266
methyl 3-[benzyl(cyclohexylcarbamoyl)amino]propanoate
CID 42697991
1-benzyl-1-(2-hydroxyethyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 18564047
N-benzyl-N-(2-hydroxyethyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
CID 108523337
1-benzyl-3-[1-(2-methylpropyl)piperidin-4-yl]-1-propylurea
CID 87003316
1-benzyl-3-(3,4-dihydro-2H-thiochromen-4-yl)-1-(2-hydroxyethyl)urea
CID 110894883
1-benzyl-3-cyclohex-3-en-1-yl-1-(3-hydroxypropyl)urea
CID 75429933
1-benzyl-1-(2-hydroxyethyl)-3-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)urea
CID 110913070
N-benzyl-1-cyclohexyl-N-methylpiperidin-4-amine;oxalic acid
CID 17369346

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(1-cyclopentylpiperidin-4-yl)-1-(2-hydroxyethyl)urea?
The IUPAC name of 1-benzyl-3-(1-cyclopentylpiperidin-4-yl)-1-(2-hydroxyethyl)urea (CID 111751499) is 1-benzyl-3-(1-cyclopentylpiperidin-4-yl)-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-benzyl-3-(1-cyclopentylpiperidin-4-yl)-1-(2-hydroxyethyl)urea?
The canonical SMILES for 1-benzyl-3-(1-cyclopentylpiperidin-4-yl)-1-(2-hydroxyethyl)urea is O=C(NC1CCN(C2CCCC2)CC1)N(CCO)Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-(1-cyclopentylpiperidin-4-yl)-1-(2-hydroxyethyl)urea?
The InChIKey is GYVKTHBYHCAXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c24-15-14-23(16-17-6-2-1-3-7-17)20(25)21-18-10-12-22(13-11-18)19-8-4-5-9-19/h1-3,6-7,18-19,24H,4-5,8-16H2,(H,21,25).
What are the key properties of 1-benzyl-3-(1-cyclopentylpiperidin-4-yl)-1-(2-hydroxyethyl)urea?
1-benzyl-3-(1-cyclopentylpiperidin-4-yl)-1-(2-hydroxyethyl)urea has a molecular weight of 345.49 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(1-cyclopentylpiperidin-4-yl)-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 111751499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).