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

C16H25N3O — CID 47132999

IUPAC1-(1-methylpiperidin-4-yl)-3-(2,4,6-trimethylphenyl)urea
SMILESCc1cc(C)c(NC(=O)NC2CCN(C)CC2)c(C)c1
InChIInChI=1S/C16H25N3O/c1-11-9-12(2)15(13(3)10-11)18-16(20)17-14-5-7-19(4)8-6-14/h9-10,14H,5-8H2,1-4H3,(H2,17,18,20)
InChIKeyNVWDJCOAPCWIBJ-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.83
Rot. Bonds2

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

1-(1-methylpiperidin-4-yl)-3-(2,4,6-trimethylphenyl)urea (PubChem CID 47132999) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)-3-(2,4,6-trimethylphenyl)urea.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)-3-(2,4,6-trimethylphenyl)urea
PubChem CID47132999
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-(1-methylpiperidin-4-yl)-3-(2,4,6-trimethylphenyl)urea
SMILESCc1cc(C)c(NC(=O)NC2CCN(C)CC2)c(C)c1
InChIInChI=1S/C16H25N3O/c1-11-9-12(2)15(13(3)10-11)18-16(20)17-14-5-7-19(4)8-6-14/h9-10,14H,5-8H2,1-4H3,(H2,17,18,20)
InChIKeyNVWDJCOAPCWIBJ-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cycloheptyl-3-(2,4,6-trimethylphenyl)urea
CID 47132646
2-[4-[(3,5-dimethylphenyl)carbamoylamino]piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 3220766
1-(3,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)urea
CID 17279067
1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3-(2,4,6-trimethylphenyl)urea
CID 47049556
1-(3-bromo-4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea
CID 110866440
1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpiperidin-4-yl)urea
CID 52887488
1-(4-iodophenyl)-3-(1-methylpiperidin-4-yl)urea
CID 47133004
1-(3-ethoxy-4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea
CID 56824217
ethyl 4-[[3-oxo-3-(2,4,6-trimethylanilino)propanoyl]amino]piperidine-1-carboxylate
CID 108950241
1-[(3-chloro-5-methylphenyl)methyl]-3-(1-methylpiperidin-4-yl)urea
CID 59684889
1-(1-methylpiperidin-4-yl)-3-naphthalen-2-ylurea
CID 78832160
4-(4-methylpiperazine-1-carbonyl)-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide
CID 109147427

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)-3-(2,4,6-trimethylphenyl)urea?
The IUPAC name of 1-(1-methylpiperidin-4-yl)-3-(2,4,6-trimethylphenyl)urea (CID 47132999) is 1-(1-methylpiperidin-4-yl)-3-(2,4,6-trimethylphenyl)urea.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)-3-(2,4,6-trimethylphenyl)urea?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)-3-(2,4,6-trimethylphenyl)urea is Cc1cc(C)c(NC(=O)NC2CCN(C)CC2)c(C)c1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)-3-(2,4,6-trimethylphenyl)urea?
The InChIKey is NVWDJCOAPCWIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-11-9-12(2)15(13(3)10-11)18-16(20)17-14-5-7-19(4)8-6-14/h9-10,14H,5-8H2,1-4H3,(H2,17,18,20).
What are the key properties of 1-(1-methylpiperidin-4-yl)-3-(2,4,6-trimethylphenyl)urea?
1-(1-methylpiperidin-4-yl)-3-(2,4,6-trimethylphenyl)urea has a molecular weight of 275.40 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)-3-(2,4,6-trimethylphenyl)urea is sourced from PubChem (CID 47132999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).