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

C10H21N3O — CID 79154184

IUPAC1,1-dimethyl-3-[(3-methylpiperidin-2-yl)methyl]urea
SMILESCC1CCCNC1CNC(=O)N(C)C
InChIInChI=1S/C10H21N3O/c1-8-5-4-6-11-9(8)7-12-10(14)13(2)3/h8-9,11H,4-7H2,1-3H3,(H,12,14)
InChIKeyQNSJBSOUEIFJJM-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.65
Rot. Bonds2

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

1,1-dimethyl-3-[(3-methylpiperidin-2-yl)methyl]urea (PubChem CID 79154184) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 1,1-dimethyl-3-[(3-methylpiperidin-2-yl)methyl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[(3-methylpiperidin-2-yl)methyl]urea
PubChem CID79154184
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name1,1-dimethyl-3-[(3-methylpiperidin-2-yl)methyl]urea
SMILESCC1CCCNC1CNC(=O)N(C)C
InChIInChI=1S/C10H21N3O/c1-8-5-4-6-11-9(8)7-12-10(14)13(2)3/h8-9,11H,4-7H2,1-3H3,(H,12,14)
InChIKeyQNSJBSOUEIFJJM-UHFFFAOYSA-N
XLogP0.65
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-diethyl-3-[(3-methylpiperidin-2-yl)methyl]urea
CID 79161560
N-[(3-methylpiperidin-2-yl)methyl]acetamide
CID 63305307
1-ethyl-3-[(3-methylpiperidin-2-yl)methyl]urea
CID 63304934
1-[(3-methylpiperidin-2-yl)methyl]-3-propylurea
CID 63304890
N,N-dimethyl-2-(3-methylpiperidin-2-yl)acetamide
CID 107147512
3-cyclopentyl-N-[(3-methylpiperidin-2-yl)methyl]propanamide
CID 55204232
N-[(3-methylpiperidin-2-yl)methyl]-2-methylsulfonylpropanamide
CID 113421960
N-[(3-methylpiperidin-2-yl)methyl]-2-propoxyacetamide
CID 107938590
N-[(3-methylpiperidin-2-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104622061
2-ethyl-N-[(3-methylpiperidin-2-yl)methyl]hexanamide
CID 63304747
2-(3-fluorophenyl)-N-[(3-methylpiperidin-2-yl)methyl]acetamide
CID 63305010
(3-methylpiperidin-2-yl)methanol
CID 19898861

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[(3-methylpiperidin-2-yl)methyl]urea?
The IUPAC name of 1,1-dimethyl-3-[(3-methylpiperidin-2-yl)methyl]urea (CID 79154184) is 1,1-dimethyl-3-[(3-methylpiperidin-2-yl)methyl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[(3-methylpiperidin-2-yl)methyl]urea?
The canonical SMILES for 1,1-dimethyl-3-[(3-methylpiperidin-2-yl)methyl]urea is CC1CCCNC1CNC(=O)N(C)C.
What is the InChIKey of 1,1-dimethyl-3-[(3-methylpiperidin-2-yl)methyl]urea?
The InChIKey is QNSJBSOUEIFJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-8-5-4-6-11-9(8)7-12-10(14)13(2)3/h8-9,11H,4-7H2,1-3H3,(H,12,14).
What are the key properties of 1,1-dimethyl-3-[(3-methylpiperidin-2-yl)methyl]urea?
1,1-dimethyl-3-[(3-methylpiperidin-2-yl)methyl]urea has a molecular weight of 199.30 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[(3-methylpiperidin-2-yl)methyl]urea is sourced from PubChem (CID 79154184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).