1-(1-cyclohexylpiperidin-3-yl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea

C25H40N4O3 — CID 86904644

IUPAC1-(1-cyclohexylpiperidin-3-yl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
SMILESO=C(NCc1cccc(OCCN2CCOCC2)c1)NC1CCCN(C2CCCCC2)C1
InChIInChI=1S/C25H40N4O3/c30-25(27-22-7-5-11-29(20-22)23-8-2-1-3-9-23)26-19-21-6-4-10-24(18-21)32-17-14-28-12-15-31-16-13-28/h4,6,10,18,22-23H,1-3,5,7-9,11-17,19-20H2,(H2,26,27,30)
InChIKeyWIGYBPJDVBONNH-UHFFFAOYSA-N
MW444.62 g/mol
LogP2.99
Rot. Bonds8

About 1-(1-cyclohexylpiperidin-3-yl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea

1-(1-cyclohexylpiperidin-3-yl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea (PubChem CID 86904644) has the molecular formula C25H40N4O3 and a molecular weight of 444.62 g/mol. Its IUPAC name is 1-(1-cyclohexylpiperidin-3-yl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(1-cyclohexylpiperidin-3-yl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
PubChem CID86904644
Molecular FormulaC25H40N4O3
Molecular Weight444.62 g/mol
Exact Mass444.31
IUPAC Name1-(1-cyclohexylpiperidin-3-yl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
SMILESO=C(NCc1cccc(OCCN2CCOCC2)c1)NC1CCCN(C2CCCCC2)C1
InChIInChI=1S/C25H40N4O3/c30-25(27-22-7-5-11-29(20-22)23-8-2-1-3-9-23)26-19-21-6-4-10-24(18-21)32-17-14-28-12-15-31-16-13-28/h4,6,10,18,22-23H,1-3,5,7-9,11-17,19-20H2,(H2,26,27,30)
InChIKeyWIGYBPJDVBONNH-UHFFFAOYSA-N
XLogP2.99
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.62
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(1-cyclohexylpiperidin-3-yl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea with MolForge

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Related Compounds

1-benzyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 47079982
2-[[3-(2-morpholin-4-ylethoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 22680140
3-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclohexane-1-carboxamide
CID 119865297
2-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120799134
1-(3-ethylphenyl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 48638168
(2S)-2-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide;dihydrochloride
CID 119865316
N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 48693485
(3R)-1-[(3-fluorophenyl)methyl]-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 52819283
1-(3,4-dichlorophenyl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 60590463
(2R)-2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]morpholine-4-carboxamide
CID 52512106
4-[2-[3-[[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]methyl]phenoxy]ethyl]morpholine
CID 99926332
ethyl 1-[N'-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]carbamimidoyl]piperidine-3-carboxylate;hydroiodide
CID 110993366

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylpiperidin-3-yl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea?
The IUPAC name of 1-(1-cyclohexylpiperidin-3-yl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea (CID 86904644) is 1-(1-cyclohexylpiperidin-3-yl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea.
What is the SMILES notation for 1-(1-cyclohexylpiperidin-3-yl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea?
The canonical SMILES for 1-(1-cyclohexylpiperidin-3-yl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea is O=C(NCc1cccc(OCCN2CCOCC2)c1)NC1CCCN(C2CCCCC2)C1.
What is the InChIKey of 1-(1-cyclohexylpiperidin-3-yl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea?
The InChIKey is WIGYBPJDVBONNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N4O3/c30-25(27-22-7-5-11-29(20-22)23-8-2-1-3-9-23)26-19-21-6-4-10-24(18-21)32-17-14-28-12-15-31-16-13-28/h4,6,10,18,22-23H,1-3,5,7-9,11-17,19-20H2,(H2,26,27,30).
What are the key properties of 1-(1-cyclohexylpiperidin-3-yl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea?
1-(1-cyclohexylpiperidin-3-yl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea has a molecular weight of 444.62 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylpiperidin-3-yl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea is sourced from PubChem (CID 86904644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).