1-[2-(4-methoxyphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea

C19H31N3O2 — CID 33425141

IUPAC1-[2-(4-methoxyphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCOc1ccc(CCNC(=O)NC2CC(C)(C)NC(C)(C)C2)cc1
InChIInChI=1S/C19H31N3O2/c1-18(2)12-15(13-19(3,4)22-18)21-17(23)20-11-10-14-6-8-16(24-5)9-7-14/h6-9,15,22H,10-13H2,1-5H3,(H2,20,21,23)
InChIKeyMEAHBVIIRMYFBV-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.85
Rot. Bonds5

About 1-[2-(4-methoxyphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea

1-[2-(4-methoxyphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (PubChem CID 33425141) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
PubChem CID33425141
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCOc1ccc(CCNC(=O)NC2CC(C)(C)NC(C)(C)C2)cc1
InChIInChI=1S/C19H31N3O2/c1-18(2)12-15(13-19(3,4)22-18)21-17(23)20-11-10-14-6-8-16(24-5)9-7-14/h6-9,15,22H,10-13H2,1-5H3,(H2,20,21,23)
InChIKeyMEAHBVIIRMYFBV-UHFFFAOYSA-N
XLogP2.85
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 2215150
1-[2-(3-methylphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 108900751
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 33424384
1-[2-(4-methoxyphenyl)ethyl]-3-(1-methylpiperidin-4-yl)urea
CID 11493037
1-[(3,4-dimethoxyphenyl)methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 38205613
1-(3-hydroxycyclohexyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 71786236
2-(4-methoxyphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 748750
N-[(4-methoxyphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine;oxalic acid
CID 17052859
N-[2-(4-methoxyphenyl)ethyl]bicyclo[1.1.0]butane-1-carboxamide
CID 167780706
1-[2-(4-methoxyphenyl)ethyl]-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564273
1-N,1-N'-bis[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977727
1-[(1R)-1-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 121471508

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (CID 33425141) is 1-[2-(4-methoxyphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is COc1ccc(CCNC(=O)NC2CC(C)(C)NC(C)(C)C2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The InChIKey is MEAHBVIIRMYFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-18(2)12-15(13-19(3,4)22-18)21-17(23)20-11-10-14-6-8-16(24-5)9-7-14/h6-9,15,22H,10-13H2,1-5H3,(H2,20,21,23).
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
1-[2-(4-methoxyphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea has a molecular weight of 333.48 g/mol, XLogP of 2.85, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is sourced from PubChem (CID 33425141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).