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

C10H21N3O — CID 112690170

IUPAC1,1-dimethyl-3-[(1-methylpiperidin-3-yl)methyl]urea
SMILESCN1CCCC(C1)CNC(=O)N(C)C
InChIInChI=1S/C10H21N3O/c1-12(2)10(14)11-7-9-5-4-6-13(3)8-9/h9H,4-8H2,1-3H3,(H,11,14)
InChIKeyAIGATEJOMWFBEZ-UHFFFAOYSA-N
MW199.29 g/mol
LogP0.30
Rot. Bonds2

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

3,3-Dimethyl-1-[(1-methylpiperidin-3-yl)methyl]urea (PubChem CID 112690170) has the molecular formula C10H21N3O and a molecular weight of 199.29 g/mol. Its IUPAC name is 1,1-dimethyl-3-[(1-methylpiperidin-3-yl)methyl]urea.

Molecular Properties

Compound Name3,3-Dimethyl-1-[(1-methylpiperidin-3-yl)methyl]urea
PubChem CID112690170
Molecular FormulaC10H21N3O
Molecular Weight199.29 g/mol
Exact Mass199.17
IUPAC Name1,1-dimethyl-3-[(1-methylpiperidin-3-yl)methyl]urea
SMILESCN1CCCC(C1)CNC(=O)N(C)C
InChIInChI=1S/C10H21N3O/c1-12(2)10(14)11-7-9-5-4-6-13(3)8-9/h9H,4-8H2,1-3H3,(H,11,14)
InChIKeyAIGATEJOMWFBEZ-UHFFFAOYSA-N
XLogP0.30
TPSA35.60 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity194

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methylpiperidine-1-carboxamide
CID 16786142
(Piperidin-3-ylmethyl)urea
CID 20115193
1,3-Dimethyl-1-(1-methylpiperidin-4-yl)urea
CID 54043995
3-Methyl-1-(1-methylpiperidin-4-yl)urea
CID 59833286
3-Methyl-1-((piperidin-4-yl)methyl)urea hydrochloride
CID 134691041
5-Methyl-5-(2-methylpropyl)-1,3-diazinan-2-one
CID 257063
N-(2,2-difluoroethyl)-3-methylpiperidine-1-carboxamide
CID 84595795
n-Butylpiperidine-1-carboxamide
CID 256864
1-Propyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 2277117
N-(2-cyclohexylethyl)piperidine-1-carboxamide
CID 6458387
1-(1-Ethylpiperidin-4-yl)-3-propylurea
CID 6468806
1,1-Dimethyl-3-(piperidin-4-yl)urea
CID 18677692

Frequently Asked Questions

What is the IUPAC name of 3,3-Dimethyl-1-[(1-methylpiperidin-3-yl)methyl]urea?
The IUPAC name of 3,3-Dimethyl-1-[(1-methylpiperidin-3-yl)methyl]urea (CID 112690170) is 1,1-dimethyl-3-[(1-methylpiperidin-3-yl)methyl]urea.
What is the SMILES notation for 3,3-Dimethyl-1-[(1-methylpiperidin-3-yl)methyl]urea?
The canonical SMILES for 3,3-Dimethyl-1-[(1-methylpiperidin-3-yl)methyl]urea is CN1CCCC(C1)CNC(=O)N(C)C.
What is the InChIKey of 3,3-Dimethyl-1-[(1-methylpiperidin-3-yl)methyl]urea?
The InChIKey is AIGATEJOMWFBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-12(2)10(14)11-7-9-5-4-6-13(3)8-9/h9H,4-8H2,1-3H3,(H,11,14).
What are the key properties of 3,3-Dimethyl-1-[(1-methylpiperidin-3-yl)methyl]urea?
3,3-Dimethyl-1-[(1-methylpiperidin-3-yl)methyl]urea has a molecular weight of 199.29 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-Dimethyl-1-[(1-methylpiperidin-3-yl)methyl]urea is sourced from PubChem (CID 112690170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).