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

C9H19N3O — CID 118114950

IUPAC1,1-dimethyl-3-[(2R,3R)-2-methylpiperidin-3-yl]urea
SMILESC[C@H]1NCCC[C@H]1NC(=O)N(C)C
InChIInChI=1S/C9H19N3O/c1-7-8(5-4-6-10-7)11-9(13)12(2)3/h7-8,10H,4-6H2,1-3H3,(H,11,13)/t7-,8-/m1/s1
InChIKeyCAHRMHQMODVARK-HTQZYQBOSA-N
MW185.27 g/mol
LogP0.40
Rot. Bonds1

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

1,1-dimethyl-3-[(2R,3R)-2-methylpiperidin-3-yl]urea (PubChem CID 118114950) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 1,1-dimethyl-3-[(2R,3R)-2-methylpiperidin-3-yl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[(2R,3R)-2-methylpiperidin-3-yl]urea
PubChem CID118114950
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name1,1-dimethyl-3-[(2R,3R)-2-methylpiperidin-3-yl]urea
SMILESC[C@H]1NCCC[C@H]1NC(=O)N(C)C
InChIInChI=1S/C9H19N3O/c1-7-8(5-4-6-10-7)11-9(13)12(2)3/h7-8,10H,4-6H2,1-3H3,(H,11,13)/t7-,8-/m1/s1
InChIKeyCAHRMHQMODVARK-HTQZYQBOSA-N
XLogP0.40
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-methyl-N-[(2R,3R)-2-methylpiperidin-3-yl]butanamide
CID 130763419
N-(2-methylpiperidin-3-yl)cyclopent-3-ene-1-carboxamide
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CID 104941383
N-(2-methylpiperidin-3-yl)-2-methylsulfanylpropanamide
CID 120576561
N-[(2S,3S)-2-methylpiperidin-3-yl]but-3-enamide
CID 130763417
3-[(1R,2R)-2-hydroxycyclohexyl]-1,1-dimethylurea
CID 40636941
N-[(2R,3R)-2-methylpiperidin-3-yl]benzamide
CID 124511336
(2R)-2-amino-N-(2-methylpiperidin-3-yl)butanamide
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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[(2R,3R)-2-methylpiperidin-3-yl]urea?
The IUPAC name of 1,1-dimethyl-3-[(2R,3R)-2-methylpiperidin-3-yl]urea (CID 118114950) is 1,1-dimethyl-3-[(2R,3R)-2-methylpiperidin-3-yl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[(2R,3R)-2-methylpiperidin-3-yl]urea?
The canonical SMILES for 1,1-dimethyl-3-[(2R,3R)-2-methylpiperidin-3-yl]urea is C[C@H]1NCCC[C@H]1NC(=O)N(C)C.
What is the InChIKey of 1,1-dimethyl-3-[(2R,3R)-2-methylpiperidin-3-yl]urea?
The InChIKey is CAHRMHQMODVARK-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H19N3O/c1-7-8(5-4-6-10-7)11-9(13)12(2)3/h7-8,10H,4-6H2,1-3H3,(H,11,13)/t7-,8-/m1/s1.
What are the key properties of 1,1-dimethyl-3-[(2R,3R)-2-methylpiperidin-3-yl]urea?
1,1-dimethyl-3-[(2R,3R)-2-methylpiperidin-3-yl]urea has a molecular weight of 185.27 g/mol, XLogP of 0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[(2R,3R)-2-methylpiperidin-3-yl]urea is sourced from PubChem (CID 118114950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).