1-(1-cyclohexylpiperidin-4-yl)-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]urea

C21H40N4O2 — CID 126791704

IUPAC1-(1-cyclohexylpiperidin-4-yl)-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]urea
SMILESCOCCN1CCC(CNC(=O)NC2CCN(C3CCCCC3)CC2)CC1
InChIInChI=1S/C21H40N4O2/c1-27-16-15-24-11-7-18(8-12-24)17-22-21(26)23-19-9-13-25(14-10-19)20-5-3-2-4-6-20/h18-20H,2-17H2,1H3,(H2,22,23,26)
InChIKeyUEXGABWHTLPBSO-UHFFFAOYSA-N
MW380.58 g/mol
LogP2.44
Rot. Bonds7

About 1-(1-cyclohexylpiperidin-4-yl)-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]urea

1-(1-cyclohexylpiperidin-4-yl)-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]urea (PubChem CID 126791704) has the molecular formula C21H40N4O2 and a molecular weight of 380.58 g/mol. Its IUPAC name is 1-(1-cyclohexylpiperidin-4-yl)-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]urea.

Molecular Properties

Compound Name1-(1-cyclohexylpiperidin-4-yl)-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]urea
PubChem CID126791704
Molecular FormulaC21H40N4O2
Molecular Weight380.58 g/mol
Exact Mass380.32
IUPAC Name1-(1-cyclohexylpiperidin-4-yl)-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]urea
SMILESCOCCN1CCC(CNC(=O)NC2CCN(C3CCCCC3)CC2)CC1
InChIInChI=1S/C21H40N4O2/c1-27-16-15-24-11-7-18(8-12-24)17-22-21(26)23-19-9-13-25(14-10-19)20-5-3-2-4-6-20/h18-20H,2-17H2,1H3,(H2,22,23,26)
InChIKeyUEXGABWHTLPBSO-UHFFFAOYSA-N
XLogP2.44
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.58
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylpiperidin-4-yl)-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]urea?
The IUPAC name of 1-(1-cyclohexylpiperidin-4-yl)-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]urea (CID 126791704) is 1-(1-cyclohexylpiperidin-4-yl)-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]urea.
What is the SMILES notation for 1-(1-cyclohexylpiperidin-4-yl)-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]urea?
The canonical SMILES for 1-(1-cyclohexylpiperidin-4-yl)-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]urea is COCCN1CCC(CNC(=O)NC2CCN(C3CCCCC3)CC2)CC1.
What is the InChIKey of 1-(1-cyclohexylpiperidin-4-yl)-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]urea?
The InChIKey is UEXGABWHTLPBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N4O2/c1-27-16-15-24-11-7-18(8-12-24)17-22-21(26)23-19-9-13-25(14-10-19)20-5-3-2-4-6-20/h18-20H,2-17H2,1H3,(H2,22,23,26).
What are the key properties of 1-(1-cyclohexylpiperidin-4-yl)-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]urea?
1-(1-cyclohexylpiperidin-4-yl)-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]urea has a molecular weight of 380.58 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylpiperidin-4-yl)-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]urea is sourced from PubChem (CID 126791704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).