1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2-morpholin-4-ylphenyl)urea

C23H30N4O2 — CID 108992532

IUPAC1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2-morpholin-4-ylphenyl)urea
SMILESCC1CCN(c2ccc(NC(=O)Nc3ccccc3N3CCOCC3)cc2)CC1
InChIInChI=1S/C23H30N4O2/c1-18-10-12-26(13-11-18)20-8-6-19(7-9-20)24-23(28)25-21-4-2-3-5-22(21)27-14-16-29-17-15-27/h2-9,18H,10-17H2,1H3,(H2,24,25,28)
InChIKeyYCGPBVNVTIQILA-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.40
Rot. Bonds4

About 1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2-morpholin-4-ylphenyl)urea

1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2-morpholin-4-ylphenyl)urea (PubChem CID 108992532) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2-morpholin-4-ylphenyl)urea.

Molecular Properties

Compound Name1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2-morpholin-4-ylphenyl)urea
PubChem CID108992532
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2-morpholin-4-ylphenyl)urea
SMILESCC1CCN(c2ccc(NC(=O)Nc3ccccc3N3CCOCC3)cc2)CC1
InChIInChI=1S/C23H30N4O2/c1-18-10-12-26(13-11-18)20-8-6-19(7-9-20)24-23(28)25-21-4-2-3-5-22(21)27-14-16-29-17-15-27/h2-9,18H,10-17H2,1H3,(H2,24,25,28)
InChIKeyYCGPBVNVTIQILA-UHFFFAOYSA-N
XLogP4.40
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108992011
methyl 2-[[4-(4-methylpiperidin-1-yl)phenyl]carbamoylamino]benzoate
CID 108992322
1-(2-cyanophenyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108992543
5-(4-methylpiperidin-1-yl)-N-(2-morpholin-4-ylphenyl)pyrazine-2-carboxamide
CID 109275329
1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2,3,4-trifluorophenyl)urea
CID 108992547
1-(3-methoxyphenyl)-3-(2-morpholin-4-ylphenyl)urea
CID 108869153
2-methyl-N-(2-morpholin-4-ylphenyl)propanamide
CID 2767049
1-(2,4-dimethylphenyl)-3-(2-morpholin-4-ylphenyl)urea
CID 108991302
1-(2-morpholin-4-ylphenyl)-3-propylurea
CID 110755134
N-[4-(4-methylpiperidin-1-yl)phenyl]-2,2-diphenylacetamide
CID 19629747
1-(2-chlorophenyl)-3-[4-(4-hydroxypiperidin-1-yl)phenyl]urea
CID 47070264
N-[4-(2-morpholin-4-ylanilino)phenyl]oxane-4-carboxamide
CID 112988851

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2-morpholin-4-ylphenyl)urea?
The IUPAC name of 1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2-morpholin-4-ylphenyl)urea (CID 108992532) is 1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2-morpholin-4-ylphenyl)urea.
What is the SMILES notation for 1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2-morpholin-4-ylphenyl)urea?
The canonical SMILES for 1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2-morpholin-4-ylphenyl)urea is CC1CCN(c2ccc(NC(=O)Nc3ccccc3N3CCOCC3)cc2)CC1.
What is the InChIKey of 1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2-morpholin-4-ylphenyl)urea?
The InChIKey is YCGPBVNVTIQILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-18-10-12-26(13-11-18)20-8-6-19(7-9-20)24-23(28)25-21-4-2-3-5-22(21)27-14-16-29-17-15-27/h2-9,18H,10-17H2,1H3,(H2,24,25,28).
What are the key properties of 1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2-morpholin-4-ylphenyl)urea?
1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2-morpholin-4-ylphenyl)urea has a molecular weight of 394.52 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2-morpholin-4-ylphenyl)urea is sourced from PubChem (CID 108992532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).