3-(2,6-dimethoxyphenyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea

C16H25N3O3 — CID 108867823

IUPAC3-(2,6-dimethoxyphenyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
SMILESCOc1cccc(OC)c1NC(=O)N(C)C1CCN(C)CC1
InChIInChI=1S/C16H25N3O3/c1-18-10-8-12(9-11-18)19(2)16(20)17-15-13(21-3)6-5-7-14(15)22-4/h5-7,12H,8-11H2,1-4H3,(H,17,20)
InChIKeyOAKGYGHBXVAXSI-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.26
Rot. Bonds4

About 3-(2,6-dimethoxyphenyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea

3-(2,6-dimethoxyphenyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea (PubChem CID 108867823) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 3-(2,6-dimethoxyphenyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea.

Molecular Properties

Compound Name3-(2,6-dimethoxyphenyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
PubChem CID108867823
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name3-(2,6-dimethoxyphenyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
SMILESCOc1cccc(OC)c1NC(=O)N(C)C1CCN(C)CC1
InChIInChI=1S/C16H25N3O3/c1-18-10-8-12(9-11-18)19(2)16(20)17-15-13(21-3)6-5-7-14(15)22-4/h5-7,12H,8-11H2,1-4H3,(H,17,20)
InChIKeyOAKGYGHBXVAXSI-UHFFFAOYSA-N
XLogP2.26
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-hydroxyphenyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 108895704
3-(2-methoxyphenyl)-1-methyl-1-[(3R)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]urea
CID 95980253
N-[3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]phenyl]acetamide
CID 108884073
3-[4-(dimethylamino)phenyl]-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 108894718
1-methyl-1-(1-methylpiperidin-4-yl)-3-(2-phenoxypyrimidin-5-yl)urea
CID 166280765
1-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-3-(2-methoxyphenyl)-1-methylurea
CID 95784313
1-(1,3-dimethylpiperidin-4-yl)-3-(2-methoxyphenyl)-1-methylurea
CID 86768670
3-[3-(3-methoxyphenyl)phenyl]-1-methyl-1-[(3R)-1-methylpyrrolidin-3-yl]urea
CID 97277934
1-methyl-3-(1-methylindol-3-yl)-1-(1-methylpiperidin-4-yl)urea
CID 16813051
3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743192
N-[(2-methoxyphenyl)methyl]-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide
CID 110838955
deuterium monohydride;1-methyl-1-(1-methylpiperidin-4-yl)-3-(6-phenyl-3-pyridinyl)urea
CID 161217615

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethoxyphenyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea?
The IUPAC name of 3-(2,6-dimethoxyphenyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea (CID 108867823) is 3-(2,6-dimethoxyphenyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea.
What is the SMILES notation for 3-(2,6-dimethoxyphenyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea?
The canonical SMILES for 3-(2,6-dimethoxyphenyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea is COc1cccc(OC)c1NC(=O)N(C)C1CCN(C)CC1.
What is the InChIKey of 3-(2,6-dimethoxyphenyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea?
The InChIKey is OAKGYGHBXVAXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-18-10-8-12(9-11-18)19(2)16(20)17-15-13(21-3)6-5-7-14(15)22-4/h5-7,12H,8-11H2,1-4H3,(H,17,20).
What are the key properties of 3-(2,6-dimethoxyphenyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea?
3-(2,6-dimethoxyphenyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea has a molecular weight of 307.39 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethoxyphenyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea is sourced from PubChem (CID 108867823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).