1-[(3,4-dimethoxyphenyl)methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea

C19H31N3O3 — CID 38205613

IUPAC1-[(3,4-dimethoxyphenyl)methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCOc1ccc(CNC(=O)NC2CC(C)(C)NC(C)(C)C2)cc1OC
InChIInChI=1S/C19H31N3O3/c1-18(2)10-14(11-19(3,4)22-18)21-17(23)20-12-13-7-8-15(24-5)16(9-13)25-6/h7-9,14,22H,10-12H2,1-6H3,(H2,20,21,23)
InChIKeyLHWQNQGOPSKRDA-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.81
Rot. Bonds5

About 1-[(3,4-dimethoxyphenyl)methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea

1-[(3,4-dimethoxyphenyl)methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (PubChem CID 38205613) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is 1-[(3,4-dimethoxyphenyl)methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[(3,4-dimethoxyphenyl)methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
PubChem CID38205613
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name1-[(3,4-dimethoxyphenyl)methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCOc1ccc(CNC(=O)NC2CC(C)(C)NC(C)(C)C2)cc1OC
InChIInChI=1S/C19H31N3O3/c1-18(2)10-14(11-19(3,4)22-18)21-17(23)20-12-13-7-8-15(24-5)16(9-13)25-6/h7-9,14,22H,10-12H2,1-6H3,(H2,20,21,23)
InChIKeyLHWQNQGOPSKRDA-UHFFFAOYSA-N
XLogP2.81
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,4-dimethoxyphenyl)methyl]-3-[(1R,3S)-3-hydroxycyclohexyl]urea
CID 95983969
1-[2-(4-methoxyphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 33425141
N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 8885722
N-[(4-methoxyphenyl)methyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 2215150
1-[(4-butoxy-3-methoxyphenyl)methyl]-3-cyclohexylurea
CID 46762304
N-[(3-fluoro-4-methoxyphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 60687154
2,4,5-trimethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 1089289
1-[(3,4-dimethoxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62097486
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38157430
N-[(3,4-dimethoxyphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119674836
4-N-cyclopropyl-1-N-[(3,4-dimethoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109144703
(3,4-dimethoxyphenyl)methylcarbamothioic S-acid
CID 115169922

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (CID 38205613) is 1-[(3,4-dimethoxyphenyl)methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[(3,4-dimethoxyphenyl)methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The canonical SMILES for 1-[(3,4-dimethoxyphenyl)methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is COc1ccc(CNC(=O)NC2CC(C)(C)NC(C)(C)C2)cc1OC.
What is the InChIKey of 1-[(3,4-dimethoxyphenyl)methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The InChIKey is LHWQNQGOPSKRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-18(2)10-14(11-19(3,4)22-18)21-17(23)20-12-13-7-8-15(24-5)16(9-13)25-6/h7-9,14,22H,10-12H2,1-6H3,(H2,20,21,23).
What are the key properties of 1-[(3,4-dimethoxyphenyl)methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
1-[(3,4-dimethoxyphenyl)methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea has a molecular weight of 349.48 g/mol, XLogP of 2.81, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxyphenyl)methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is sourced from PubChem (CID 38205613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).