1-(2,6-dimethylpiperidin-1-yl)-3-(4-methoxyphenyl)urea

C15H23N3O2 — CID 47139552

IUPAC1-(2,6-dimethylpiperidin-1-yl)-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NN2C(C)CCCC2C)cc1
InChIInChI=1S/C15H23N3O2/c1-11-5-4-6-12(2)18(11)17-15(19)16-13-7-9-14(20-3)10-8-13/h7-12H,4-6H2,1-3H3,(H2,16,17,19)
InChIKeyVWKJORSDRLTEKN-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.99
Rot. Bonds3

About 1-(2,6-dimethylpiperidin-1-yl)-3-(4-methoxyphenyl)urea

1-(2,6-dimethylpiperidin-1-yl)-3-(4-methoxyphenyl)urea (PubChem CID 47139552) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperidin-1-yl)-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(2,6-dimethylpiperidin-1-yl)-3-(4-methoxyphenyl)urea
PubChem CID47139552
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NN2C(C)CCCC2C)cc1
InChIInChI=1S/C15H23N3O2/c1-11-5-4-6-12(2)18(11)17-15(19)16-13-7-9-14(20-3)10-8-13/h7-12H,4-6H2,1-3H3,(H2,16,17,19)
InChIKeyVWKJORSDRLTEKN-UHFFFAOYSA-N
XLogP2.99
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylpiperidin-1-yl)-2-hydroxy-5-methoxybenzamide
CID 115279910
1,3-bis(4-methoxyphenyl)urea
CID 139045428
1-(3-acetylphenyl)-3-(2,6-dimethylpiperidin-1-yl)urea
CID 71941783
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-(2-oxochromen-6-yl)urea
CID 95242282
1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3-(2-oxochromen-6-yl)urea
CID 95163140
1-cyclopentyloxy-3-(4-methoxyphenyl)urea
CID 112551748
3-[(4-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 63043293
1-(2,6-dimethylphenyl)-3-(2,6-dimethylpiperidin-1-yl)urea
CID 6623844
2-amino-N-(2,6-dimethylpiperidin-1-yl)-4-methoxybenzamide
CID 83021113
1-[(1R,5R)-9-cyclopentyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-(4-methoxyphenyl)urea
CID 1461544
1-[(1S,2S)-2-imidazol-1-ylcyclopentyl]-3-(4-methoxyphenyl)urea
CID 95760441
N-(4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide
CID 129215411

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-3-(4-methoxyphenyl)urea (CID 47139552) is 1-(2,6-dimethylpiperidin-1-yl)-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)NN2C(C)CCCC2C)cc1.
What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)-3-(4-methoxyphenyl)urea?
The InChIKey is VWKJORSDRLTEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11-5-4-6-12(2)18(11)17-15(19)16-13-7-9-14(20-3)10-8-13/h7-12H,4-6H2,1-3H3,(H2,16,17,19).
What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)-3-(4-methoxyphenyl)urea?
1-(2,6-dimethylpiperidin-1-yl)-3-(4-methoxyphenyl)urea has a molecular weight of 277.37 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperidin-1-yl)-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 47139552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).