1,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]urea

C11H23N3O — CID 115169549

IUPAC1,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]urea
SMILESCNC(=O)N(C)CCC1CCN(C)CC1
InChIInChI=1S/C11H23N3O/c1-12-11(15)14(3)9-6-10-4-7-13(2)8-5-10/h10H,4-9H2,1-3H3,(H,12,15)
InChIKeyJKNMYGSLQNQXIW-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.99
Rot. Bonds3

About 1,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]urea

1,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]urea (PubChem CID 115169549) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]urea.

Molecular Properties

Compound Name1,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]urea
PubChem CID115169549
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]urea
SMILESCNC(=O)N(C)CCC1CCN(C)CC1
InChIInChI=1S/C11H23N3O/c1-12-11(15)14(3)9-6-10-4-7-13(2)8-5-10/h10H,4-9H2,1-3H3,(H,12,15)
InChIKeyJKNMYGSLQNQXIW-UHFFFAOYSA-N
XLogP0.99
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

1-(2-cyclopentylethyl)-1,3-dimethylurea
CID 115169542
N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 165116548
2-amino-N,2-dimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide
CID 115152812
4-amino-N,2,2-trimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 115157150
N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-(propan-2-ylamino)acetamide
CID 115158360
(2Z)-2-amino-2-(aminohydrazinylidene)-N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide
CID 144649723
N-methyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]carbamoyl chloride
CID 115195122
1-cyano-N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclobutane-1-carboxamide
CID 115183405
2-amino-N,2-dimethyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]propanamide
CID 115152814
N-(hydrazinylmethyl)-N-methyl-2-(1-methylpiperidin-4-yl)ethanamine
CID 115261373
N-methyl-1-(methylaminomethyl)-N-[2-(1-methylpyrrolidin-3-yl)ethyl]cyclopropane-1-carboxamide
CID 115183166
3-amino-1-methyl-1-[(1-methylpiperidin-4-yl)methyl]urea
CID 115192849

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]urea?
The IUPAC name of 1,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]urea (CID 115169549) is 1,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]urea.
What is the SMILES notation for 1,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]urea?
The canonical SMILES for 1,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]urea is CNC(=O)N(C)CCC1CCN(C)CC1.
What is the InChIKey of 1,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]urea?
The InChIKey is JKNMYGSLQNQXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-12-11(15)14(3)9-6-10-4-7-13(2)8-5-10/h10H,4-9H2,1-3H3,(H,12,15).
What are the key properties of 1,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]urea?
1,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]urea has a molecular weight of 213.32 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]urea is sourced from PubChem (CID 115169549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).