1-(3-fluoro-4-piperidin-1-ylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea

C23H29FN4O2 — CID 11718559

IUPAC1-(3-fluoro-4-piperidin-1-ylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea
SMILESO=C(Nc1ccc(CN2CCOCC2)cc1)Nc1ccc(N2CCCCC2)c(F)c1
InChIInChI=1S/C23H29FN4O2/c24-21-16-20(8-9-22(21)28-10-2-1-3-11-28)26-23(29)25-19-6-4-18(5-7-19)17-27-12-14-30-15-13-27/h4-9,16H,1-3,10-15,17H2,(H2,25,26,29)
InChIKeyLXFVOULRFBVUGC-UHFFFAOYSA-N
MW412.51 g/mol
LogP4.29
Rot. Bonds5

About 1-(3-fluoro-4-piperidin-1-ylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea

1-(3-fluoro-4-piperidin-1-ylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea (PubChem CID 11718559) has the molecular formula C23H29FN4O2 and a molecular weight of 412.51 g/mol. Its IUPAC name is 1-(3-fluoro-4-piperidin-1-ylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea.

Molecular Properties

Compound Name1-(3-fluoro-4-piperidin-1-ylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea
PubChem CID11718559
Molecular FormulaC23H29FN4O2
Molecular Weight412.51 g/mol
Exact Mass412.23
IUPAC Name1-(3-fluoro-4-piperidin-1-ylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea
SMILESO=C(Nc1ccc(CN2CCOCC2)cc1)Nc1ccc(N2CCCCC2)c(F)c1
InChIInChI=1S/C23H29FN4O2/c24-21-16-20(8-9-22(21)28-10-2-1-3-11-28)26-23(29)25-19-6-4-18(5-7-19)17-27-12-14-30-15-13-27/h4-9,16H,1-3,10-15,17H2,(H2,25,26,29)
InChIKeyLXFVOULRFBVUGC-UHFFFAOYSA-N
XLogP4.29
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 54.29
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-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 48795694
1,3-bis[4-(pyrrolidin-1-ylmethyl)phenyl]urea
CID 17464843
N-[4-(azepan-1-yl)-3-fluorophenyl]acetamide
CID 155741497
ethane;N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide
CID 145422161
1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-(2-methylpropyl)urea
CID 47264829
N-(3-fluoro-4-morpholin-4-ylphenyl)propanamide
CID 144950070
1-(4-chlorophenyl)-3-(4-pyridin-3-ylphenyl)urea;1-(3-fluoro-4-piperidin-1-ylphenyl)-3-[3-(2-morpholin-4-ylethoxy)phenyl]urea
CID 69346336
methyl 5-(morpholin-4-ylmethyl)-2-pyrrolidin-1-ylbenzoate
CID 118695822
1-(5-chloro-2-methylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea
CID 17149169
N-(3-fluoro-4-morpholin-4-ylphenyl)-3-[(4-pyrimidin-5-ylphenyl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 69037129
1-(4-butylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea
CID 17149107
2,5-difluoro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 78802644

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-piperidin-1-ylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea?
The IUPAC name of 1-(3-fluoro-4-piperidin-1-ylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea (CID 11718559) is 1-(3-fluoro-4-piperidin-1-ylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea.
What is the SMILES notation for 1-(3-fluoro-4-piperidin-1-ylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea?
The canonical SMILES for 1-(3-fluoro-4-piperidin-1-ylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea is O=C(Nc1ccc(CN2CCOCC2)cc1)Nc1ccc(N2CCCCC2)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-piperidin-1-ylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea?
The InChIKey is LXFVOULRFBVUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O2/c24-21-16-20(8-9-22(21)28-10-2-1-3-11-28)26-23(29)25-19-6-4-18(5-7-19)17-27-12-14-30-15-13-27/h4-9,16H,1-3,10-15,17H2,(H2,25,26,29).
What are the key properties of 1-(3-fluoro-4-piperidin-1-ylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea?
1-(3-fluoro-4-piperidin-1-ylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea has a molecular weight of 412.51 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-piperidin-1-ylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea is sourced from PubChem (CID 11718559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).