1-(2,3-dimethylcyclohexyl)-3-[(1-ethylpiperidin-2-yl)methyl]urea

C17H33N3O — CID 102556957

IUPAC1-(2,3-dimethylcyclohexyl)-3-[(1-ethylpiperidin-2-yl)methyl]urea
SMILESCCN1CCCCC1CNC(=O)NC1CCCC(C)C1C
InChIInChI=1S/C17H33N3O/c1-4-20-11-6-5-9-15(20)12-18-17(21)19-16-10-7-8-13(2)14(16)3/h13-16H,4-12H2,1-3H3,(H2,18,19,21)
InChIKeyOYRYNFXCKLFHQG-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.98
Rot. Bonds4

About 1-(2,3-dimethylcyclohexyl)-3-[(1-ethylpiperidin-2-yl)methyl]urea

1-(2,3-dimethylcyclohexyl)-3-[(1-ethylpiperidin-2-yl)methyl]urea (PubChem CID 102556957) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 1-(2,3-dimethylcyclohexyl)-3-[(1-ethylpiperidin-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(2,3-dimethylcyclohexyl)-3-[(1-ethylpiperidin-2-yl)methyl]urea
PubChem CID102556957
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name1-(2,3-dimethylcyclohexyl)-3-[(1-ethylpiperidin-2-yl)methyl]urea
SMILESCCN1CCCCC1CNC(=O)NC1CCCC(C)C1C
InChIInChI=1S/C17H33N3O/c1-4-20-11-6-5-9-15(20)12-18-17(21)19-16-10-7-8-13(2)14(16)3/h13-16H,4-12H2,1-3H3,(H2,18,19,21)
InChIKeyOYRYNFXCKLFHQG-UHFFFAOYSA-N
XLogP2.98
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylcyclohexyl)-3-[(1-ethylpiperidin-2-yl)methyl]urea?
The IUPAC name of 1-(2,3-dimethylcyclohexyl)-3-[(1-ethylpiperidin-2-yl)methyl]urea (CID 102556957) is 1-(2,3-dimethylcyclohexyl)-3-[(1-ethylpiperidin-2-yl)methyl]urea.
What is the SMILES notation for 1-(2,3-dimethylcyclohexyl)-3-[(1-ethylpiperidin-2-yl)methyl]urea?
The canonical SMILES for 1-(2,3-dimethylcyclohexyl)-3-[(1-ethylpiperidin-2-yl)methyl]urea is CCN1CCCCC1CNC(=O)NC1CCCC(C)C1C.
What is the InChIKey of 1-(2,3-dimethylcyclohexyl)-3-[(1-ethylpiperidin-2-yl)methyl]urea?
The InChIKey is OYRYNFXCKLFHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-4-20-11-6-5-9-15(20)12-18-17(21)19-16-10-7-8-13(2)14(16)3/h13-16H,4-12H2,1-3H3,(H2,18,19,21).
What are the key properties of 1-(2,3-dimethylcyclohexyl)-3-[(1-ethylpiperidin-2-yl)methyl]urea?
1-(2,3-dimethylcyclohexyl)-3-[(1-ethylpiperidin-2-yl)methyl]urea has a molecular weight of 295.47 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylcyclohexyl)-3-[(1-ethylpiperidin-2-yl)methyl]urea is sourced from PubChem (CID 102556957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).