3-[(1,4-dimethylpiperidin-4-yl)methyl]-1,1-dimethylurea

C11H23N3O — CID 103993093

IUPAC3-[(1,4-dimethylpiperidin-4-yl)methyl]-1,1-dimethylurea
SMILESCN1CCC(C)(CNC(=O)N(C)C)CC1
InChIInChI=1S/C11H23N3O/c1-11(5-7-14(4)8-6-11)9-12-10(15)13(2)3/h5-9H2,1-4H3,(H,12,15)
InChIKeyIGNYAJIBPCEELZ-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.99
Rot. Bonds2

About 3-[(1,4-dimethylpiperidin-4-yl)methyl]-1,1-dimethylurea

3-[(1,4-dimethylpiperidin-4-yl)methyl]-1,1-dimethylurea (PubChem CID 103993093) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-[(1,4-dimethylpiperidin-4-yl)methyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[(1,4-dimethylpiperidin-4-yl)methyl]-1,1-dimethylurea
PubChem CID103993093
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name3-[(1,4-dimethylpiperidin-4-yl)methyl]-1,1-dimethylurea
SMILESCN1CCC(C)(CNC(=O)N(C)C)CC1
InChIInChI=1S/C11H23N3O/c1-11(5-7-14(4)8-6-11)9-12-10(15)13(2)3/h5-9H2,1-4H3,(H,12,15)
InChIKeyIGNYAJIBPCEELZ-UHFFFAOYSA-N
XLogP0.99
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1,4-dimethylpiperidin-4-yl)methylamino]-3-oxopropanoic acid
CID 104889410
2-[cyclopropylmethyl-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]amino]acetic acid
CID 107164823
2-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl-prop-2-enylamino]acetic acid
CID 107164806
2-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]propanamide
CID 107163376
N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylsulfonylacetamide
CID 136521862
2-cyano-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide
CID 104920672
6-[(1,4-dimethylpiperidin-4-yl)methylamino]-6-oxohexanoic acid
CID 107163135
3-[[5-[(1,4-dimethylpiperidin-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,1-dimethylurea
CID 70783814
N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-2-[2-methoxyethyl(methyl)amino]acetamide
CID 131933559
3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2,2-dimethyl-3-sulfanylidenepropanamide
CID 107164095
N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(ethylamino)propanamide
CID 107164032
N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(prop-2-ynylamino)acetamide
CID 107163946

Frequently Asked Questions

What is the IUPAC name of 3-[(1,4-dimethylpiperidin-4-yl)methyl]-1,1-dimethylurea?
The IUPAC name of 3-[(1,4-dimethylpiperidin-4-yl)methyl]-1,1-dimethylurea (CID 103993093) is 3-[(1,4-dimethylpiperidin-4-yl)methyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[(1,4-dimethylpiperidin-4-yl)methyl]-1,1-dimethylurea?
The canonical SMILES for 3-[(1,4-dimethylpiperidin-4-yl)methyl]-1,1-dimethylurea is CN1CCC(C)(CNC(=O)N(C)C)CC1.
What is the InChIKey of 3-[(1,4-dimethylpiperidin-4-yl)methyl]-1,1-dimethylurea?
The InChIKey is IGNYAJIBPCEELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-11(5-7-14(4)8-6-11)9-12-10(15)13(2)3/h5-9H2,1-4H3,(H,12,15).
What are the key properties of 3-[(1,4-dimethylpiperidin-4-yl)methyl]-1,1-dimethylurea?
3-[(1,4-dimethylpiperidin-4-yl)methyl]-1,1-dimethylurea has a molecular weight of 213.32 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,4-dimethylpiperidin-4-yl)methyl]-1,1-dimethylurea is sourced from PubChem (CID 103993093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).