1-[2-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethyl]-3-phenylurea

C21H29N7O3 — CID 2975111

IUPAC1-[2-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethyl]-3-phenylurea
SMILESO=C(NCCOc1nc(N2CCCCC2)nc(N2CCOCC2)n1)Nc1ccccc1
InChIInChI=1S/C21H29N7O3/c29-20(23-17-7-3-1-4-8-17)22-9-14-31-21-25-18(27-10-5-2-6-11-27)24-19(26-21)28-12-15-30-16-13-28/h1,3-4,7-8H,2,5-6,9-16H2,(H2,22,23,29)
InChIKeySOSMJMVDIWMCQH-UHFFFAOYSA-N
MW427.51 g/mol
LogP1.90
Rot. Bonds7

About 1-[2-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethyl]-3-phenylurea

1-[2-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethyl]-3-phenylurea (PubChem CID 2975111) has the molecular formula C21H29N7O3 and a molecular weight of 427.51 g/mol. Its IUPAC name is 1-[2-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethyl]-3-phenylurea
PubChem CID2975111
Molecular FormulaC21H29N7O3
Molecular Weight427.51 g/mol
Exact Mass427.23
IUPAC Name1-[2-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethyl]-3-phenylurea
SMILESO=C(NCCOc1nc(N2CCCCC2)nc(N2CCOCC2)n1)Nc1ccccc1
InChIInChI=1S/C21H29N7O3/c29-20(23-17-7-3-1-4-8-17)22-9-14-31-21-25-18(27-10-5-2-6-11-27)24-19(26-21)28-12-15-30-16-13-28/h1,3-4,7-8H,2,5-6,9-16H2,(H2,22,23,29)
InChIKeySOSMJMVDIWMCQH-UHFFFAOYSA-N
XLogP1.90
TPSA104.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[2-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethyl]-3-phenylurea with MolForge

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Related Compounds

1-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea
CID 2190720
2-(2-chlorophenoxy)-N-[2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide
CID 23607173
1-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-3-phenylurea
CID 91967530
1-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-ethylurea
CID 44514481
1-[2-(methylamino)ethyl]-3-[4-[4-morpholin-4-yl-6-(oxan-4-yloxy)-1,3,5-triazin-2-yl]phenyl]urea
CID 44516005
4-(azepan-1-yl)-6-morpholin-4-yl-N,N-diphenyl-1,3,5-triazin-2-amine
CID 3927094
1-(4-piperidin-1-ylphenyl)-3-(2-quinolin-6-yloxyethyl)urea
CID 112975907
1-(4-chlorophenyl)-3-[6-(2-morpholin-4-ylethoxy)-2-piperidin-1-ylpyrimidin-4-yl]urea
CID 71193790
N-(2-methoxyethyl)-4-[[4-[4-morpholin-4-yl-6-(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)-1,3,5-triazin-2-yl]phenyl]carbamoylamino]benzamide
CID 67028946
1-[2-(3,5-dimethylphenoxy)ethyl]-3-(4-piperidin-1-ylphenyl)urea
CID 112974029
1-[2-(benzylsulfonylamino)ethyl]-3-(4-piperidin-1-ylphenyl)urea
CID 47032078
1-[4-(4-morpholin-4-yl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylurea
CID 66585720

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethyl]-3-phenylurea?
The IUPAC name of 1-[2-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethyl]-3-phenylurea (CID 2975111) is 1-[2-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethyl]-3-phenylurea.
What is the SMILES notation for 1-[2-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethyl]-3-phenylurea?
The canonical SMILES for 1-[2-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethyl]-3-phenylurea is O=C(NCCOc1nc(N2CCCCC2)nc(N2CCOCC2)n1)Nc1ccccc1.
What is the InChIKey of 1-[2-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethyl]-3-phenylurea?
The InChIKey is SOSMJMVDIWMCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N7O3/c29-20(23-17-7-3-1-4-8-17)22-9-14-31-21-25-18(27-10-5-2-6-11-27)24-19(26-21)28-12-15-30-16-13-28/h1,3-4,7-8H,2,5-6,9-16H2,(H2,22,23,29).
What are the key properties of 1-[2-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethyl]-3-phenylurea?
1-[2-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethyl]-3-phenylurea has a molecular weight of 427.51 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethyl]-3-phenylurea is sourced from PubChem (CID 2975111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).