1-(2,6-dimethylphenyl)-3-(2,6-dimethylpiperidin-1-yl)urea

C16H25N3O — CID 6623844

IUPAC1-(2,6-dimethylphenyl)-3-(2,6-dimethylpiperidin-1-yl)urea
SMILESCc1cccc(C)c1NC(=O)NN1C(C)CCCC1C
InChIInChI=1S/C16H25N3O/c1-11-7-5-8-12(2)15(11)17-16(20)18-19-13(3)9-6-10-14(19)4/h5,7-8,13-14H,6,9-10H2,1-4H3,(H2,17,18,20)
InChIKeyQXZHPVDFXIXSCL-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.60
Rot. Bonds2

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

1-(2,6-dimethylphenyl)-3-(2,6-dimethylpiperidin-1-yl)urea (PubChem CID 6623844) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-3-(2,6-dimethylpiperidin-1-yl)urea.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-3-(2,6-dimethylpiperidin-1-yl)urea
PubChem CID6623844
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-(2,6-dimethylphenyl)-3-(2,6-dimethylpiperidin-1-yl)urea
SMILESCc1cccc(C)c1NC(=O)NN1C(C)CCCC1C
InChIInChI=1S/C16H25N3O/c1-11-7-5-8-12(2)15(11)17-16(20)18-19-13(3)9-6-10-14(19)4/h5,7-8,13-14H,6,9-10H2,1-4H3,(H2,17,18,20)
InChIKeyQXZHPVDFXIXSCL-UHFFFAOYSA-N
XLogP3.60
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-dimethylphenyl)-3-pyrrolidin-1-ylurea
CID 71409374
1-(3-acetylphenyl)-3-(2,6-dimethylpiperidin-1-yl)urea
CID 71941783
N-(2,6-dimethylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 6994156
1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-3-(4-nitrophenyl)urea
CID 39388369
1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
CID 97023354
N-(2,6-dimethylphenyl)-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 51632067
1-cyclobutyl-3-(2-fluoro-6-methylphenyl)urea
CID 104721687
O-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethyl] N-(2,6-dimethylphenyl)carbamothioate
CID 97356637
(3R)-N-(2,6-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111431144
N-(2-ethyl-6-methylphenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 16554808
N,N'-bis(2,6-dimethylphenyl)oxamide
CID 3764178
2-amino-3-chloro-N-(2,6-dimethylpiperidin-1-yl)benzamide
CID 83013273

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-3-(2,6-dimethylpiperidin-1-yl)urea?
The IUPAC name of 1-(2,6-dimethylphenyl)-3-(2,6-dimethylpiperidin-1-yl)urea (CID 6623844) is 1-(2,6-dimethylphenyl)-3-(2,6-dimethylpiperidin-1-yl)urea.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-3-(2,6-dimethylpiperidin-1-yl)urea?
The canonical SMILES for 1-(2,6-dimethylphenyl)-3-(2,6-dimethylpiperidin-1-yl)urea is Cc1cccc(C)c1NC(=O)NN1C(C)CCCC1C.
What is the InChIKey of 1-(2,6-dimethylphenyl)-3-(2,6-dimethylpiperidin-1-yl)urea?
The InChIKey is QXZHPVDFXIXSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-11-7-5-8-12(2)15(11)17-16(20)18-19-13(3)9-6-10-14(19)4/h5,7-8,13-14H,6,9-10H2,1-4H3,(H2,17,18,20).
What are the key properties of 1-(2,6-dimethylphenyl)-3-(2,6-dimethylpiperidin-1-yl)urea?
1-(2,6-dimethylphenyl)-3-(2,6-dimethylpiperidin-1-yl)urea has a molecular weight of 275.40 g/mol, XLogP of 3.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-3-(2,6-dimethylpiperidin-1-yl)urea is sourced from PubChem (CID 6623844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).