1,1-dimethyl-3-[(1-methylpiperidin-4-yl)methyl]urea

C10H21N3O — CID 112688391

IUPAC1,1-dimethyl-3-[(1-methylpiperidin-4-yl)methyl]urea
SMILESCN1CCC(CNC(=O)N(C)C)CC1
InChIInChI=1S/C10H21N3O/c1-12(2)10(14)11-8-9-4-6-13(3)7-5-9/h9H,4-8H2,1-3H3,(H,11,14)
InChIKeyJWGHLGPFKWILJR-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.60
Rot. Bonds2

About 1,1-dimethyl-3-[(1-methylpiperidin-4-yl)methyl]urea

1,1-dimethyl-3-[(1-methylpiperidin-4-yl)methyl]urea (PubChem CID 112688391) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 1,1-dimethyl-3-[(1-methylpiperidin-4-yl)methyl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[(1-methylpiperidin-4-yl)methyl]urea
PubChem CID112688391
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name1,1-dimethyl-3-[(1-methylpiperidin-4-yl)methyl]urea
SMILESCN1CCC(CNC(=O)N(C)C)CC1
InChIInChI=1S/C10H21N3O/c1-12(2)10(14)11-8-9-4-6-13(3)7-5-9/h9H,4-8H2,1-3H3,(H,11,14)
InChIKeyJWGHLGPFKWILJR-UHFFFAOYSA-N
XLogP0.60
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[(1-methylpiperidin-4-yl)methyl]urea?
The IUPAC name of 1,1-dimethyl-3-[(1-methylpiperidin-4-yl)methyl]urea (CID 112688391) is 1,1-dimethyl-3-[(1-methylpiperidin-4-yl)methyl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[(1-methylpiperidin-4-yl)methyl]urea?
The canonical SMILES for 1,1-dimethyl-3-[(1-methylpiperidin-4-yl)methyl]urea is CN1CCC(CNC(=O)N(C)C)CC1.
What is the InChIKey of 1,1-dimethyl-3-[(1-methylpiperidin-4-yl)methyl]urea?
The InChIKey is JWGHLGPFKWILJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-12(2)10(14)11-8-9-4-6-13(3)7-5-9/h9H,4-8H2,1-3H3,(H,11,14).
What are the key properties of 1,1-dimethyl-3-[(1-methylpiperidin-4-yl)methyl]urea?
1,1-dimethyl-3-[(1-methylpiperidin-4-yl)methyl]urea has a molecular weight of 199.30 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[(1-methylpiperidin-4-yl)methyl]urea is sourced from PubChem (CID 112688391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).