1-(1,3-dimethylpiperidin-3-yl)-3-ethenylurea

C10H19N3O — CID 170767769

IUPAC1-(1,3-dimethylpiperidin-3-yl)-3-ethenylurea
SMILESC=CNC(=O)NC1(C)CCCN(C)C1
InChIInChI=1S/C10H19N3O/c1-4-11-9(14)12-10(2)6-5-7-13(3)8-10/h4H,1,5-8H2,2-3H3,(H2,11,12,14)
InChIKeyLTYFFZPTVLLVBB-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.91
Rot. Bonds2

About 1-(1,3-dimethylpiperidin-3-yl)-3-ethenylurea

1-(1,3-dimethylpiperidin-3-yl)-3-ethenylurea (PubChem CID 170767769) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(1,3-dimethylpiperidin-3-yl)-3-ethenylurea.

Molecular Properties

Compound Name1-(1,3-dimethylpiperidin-3-yl)-3-ethenylurea
PubChem CID170767769
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name1-(1,3-dimethylpiperidin-3-yl)-3-ethenylurea
SMILESC=CNC(=O)NC1(C)CCCN(C)C1
InChIInChI=1S/C10H19N3O/c1-4-11-9(14)12-10(2)6-5-7-13(3)8-10/h4H,1,5-8H2,2-3H3,(H2,11,12,14)
InChIKeyLTYFFZPTVLLVBB-UHFFFAOYSA-N
XLogP0.91
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,1,3-trimethylpiperidin-3-amine
CID 82594451
1-(1,3-dimethylpiperidin-3-yl)propan-1-one;ethane
CID 178173613
2-(3-fluoro-1-methylpiperidin-3-yl)acetic acid
CID 83816582
1,3,3-trimethylazepane
CID 18711354
2-(3-hydroxy-1-methylpiperidin-3-yl)acetic acid
CID 80503158
1-(1,4-dimethylpiperidin-4-yl)-3-(2-methylpropyl)urea
CID 134434403
N-(1-methylcyclopentyl)-2-(prop-2-enylamino)acetamide
CID 79279826
(1,4-dimethylpiperidin-4-yl)urea
CID 90712934
1-(1-methylcyclohexyl)-3-piperidin-1-ylsulfonylurea
CID 134126330
(1,3-dimethylpiperidin-3-yl) 2,3-dibromopropanoate
CID 162508064
2-(3-amino-1-methylpiperidin-3-yl)acetamide
CID 83682898
2-(1,3-dimethylazepan-3-yl)acetic acid
CID 134365428

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpiperidin-3-yl)-3-ethenylurea?
The IUPAC name of 1-(1,3-dimethylpiperidin-3-yl)-3-ethenylurea (CID 170767769) is 1-(1,3-dimethylpiperidin-3-yl)-3-ethenylurea.
What is the SMILES notation for 1-(1,3-dimethylpiperidin-3-yl)-3-ethenylurea?
The canonical SMILES for 1-(1,3-dimethylpiperidin-3-yl)-3-ethenylurea is C=CNC(=O)NC1(C)CCCN(C)C1.
What is the InChIKey of 1-(1,3-dimethylpiperidin-3-yl)-3-ethenylurea?
The InChIKey is LTYFFZPTVLLVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-4-11-9(14)12-10(2)6-5-7-13(3)8-10/h4H,1,5-8H2,2-3H3,(H2,11,12,14).
What are the key properties of 1-(1,3-dimethylpiperidin-3-yl)-3-ethenylurea?
1-(1,3-dimethylpiperidin-3-yl)-3-ethenylurea has a molecular weight of 197.28 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpiperidin-3-yl)-3-ethenylurea is sourced from PubChem (CID 170767769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).