1-(phenoxymethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea

C17H27N3O2 — CID 108888896

IUPAC1-(phenoxymethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCC1(C)CC(NC(=O)NCOc2ccccc2)CC(C)(C)N1
InChIInChI=1S/C17H27N3O2/c1-16(2)10-13(11-17(3,4)20-16)19-15(21)18-12-22-14-8-6-5-7-9-14/h5-9,13,20H,10-12H2,1-4H3,(H2,18,19,21)
InChIKeyVBOZWGYQMNVCBR-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.63
Rot. Bonds4

About 1-(phenoxymethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea

1-(phenoxymethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (PubChem CID 108888896) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-(phenoxymethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(phenoxymethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
PubChem CID108888896
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name1-(phenoxymethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCC1(C)CC(NC(=O)NCOc2ccccc2)CC(C)(C)N1
InChIInChI=1S/C17H27N3O2/c1-16(2)10-13(11-17(3,4)20-16)19-15(21)18-12-22-14-8-6-5-7-9-14/h5-9,13,20H,10-12H2,1-4H3,(H2,18,19,21)
InChIKeyVBOZWGYQMNVCBR-UHFFFAOYSA-N
XLogP2.63
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[(4-ethoxyphenoxy)methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 108890764
2-(phenoxymethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 35945918
benzyl N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate;hydrochloride
CID 153383254
1-[(2S)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 126454365
1-(4-hydroxy-2-phenylbutyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 111450418
1-[2-(4-methoxyphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 33425141
3-bromo-4-(phenoxymethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67679171
1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 154834109
2-(4-methoxyphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 748750
1-[(1R)-2-methyl-1-phenylpropyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 33424524
1-[(3,4-dimethoxyphenyl)methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 38205613
2-(2-phenylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 8885763

Frequently Asked Questions

What is the IUPAC name of 1-(phenoxymethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The IUPAC name of 1-(phenoxymethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (CID 108888896) is 1-(phenoxymethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(phenoxymethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The canonical SMILES for 1-(phenoxymethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is CC1(C)CC(NC(=O)NCOc2ccccc2)CC(C)(C)N1.
What is the InChIKey of 1-(phenoxymethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The InChIKey is VBOZWGYQMNVCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-16(2)10-13(11-17(3,4)20-16)19-15(21)18-12-22-14-8-6-5-7-9-14/h5-9,13,20H,10-12H2,1-4H3,(H2,18,19,21).
What are the key properties of 1-(phenoxymethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
1-(phenoxymethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea has a molecular weight of 305.42 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(phenoxymethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is sourced from PubChem (CID 108888896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).