1,1,3-trimethyl-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea

C15H24N4O — CID 166603331

IUPAC1,1,3-trimethyl-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea
SMILESCc1cccc(N2CCC(N(C)C(=O)N(C)C)CC2)n1
InChIInChI=1S/C15H24N4O/c1-12-6-5-7-14(16-12)19-10-8-13(9-11-19)18(4)15(20)17(2)3/h5-7,13H,8-11H2,1-4H3
InChIKeyXNEOUQVYEDMOIZ-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.97
Rot. Bonds2

About 1,1,3-trimethyl-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea

1,1,3-trimethyl-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea (PubChem CID 166603331) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1,1,3-trimethyl-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1,1,3-trimethyl-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea
PubChem CID166603331
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name1,1,3-trimethyl-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea
SMILESCc1cccc(N2CCC(N(C)C(=O)N(C)C)CC2)n1
InChIInChI=1S/C15H24N4O/c1-12-6-5-7-14(16-12)19-10-8-13(9-11-19)18(4)15(20)17(2)3/h5-7,13H,8-11H2,1-4H3
InChIKeyXNEOUQVYEDMOIZ-UHFFFAOYSA-N
XLogP1.97
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,3-trimethyl-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea?
The IUPAC name of 1,1,3-trimethyl-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea (CID 166603331) is 1,1,3-trimethyl-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea.
What is the SMILES notation for 1,1,3-trimethyl-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea?
The canonical SMILES for 1,1,3-trimethyl-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea is Cc1cccc(N2CCC(N(C)C(=O)N(C)C)CC2)n1.
What is the InChIKey of 1,1,3-trimethyl-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea?
The InChIKey is XNEOUQVYEDMOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-12-6-5-7-14(16-12)19-10-8-13(9-11-19)18(4)15(20)17(2)3/h5-7,13H,8-11H2,1-4H3.
What are the key properties of 1,1,3-trimethyl-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea?
1,1,3-trimethyl-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea has a molecular weight of 276.38 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trimethyl-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea is sourced from PubChem (CID 166603331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).