[4-fluoro-4-(morpholin-4-ylmethyl)piperidin-1-yl]-[3-[(1S)-1-[2-(4-fluorophenyl)phenyl]ethyl]imidazol-4-yl]methanone

C28H32F2N4O2 — CID 90468736

IUPAC[4-fluoro-4-(morpholin-4-ylmethyl)piperidin-1-yl]-[3-[(1S)-1-[2-(4-fluorophenyl)phenyl]ethyl]imidazol-4-yl]methanone
SMILESC[C@@H](c1ccccc1-c1ccc(F)cc1)n1cncc1C(=O)N1CCC(F)(CN2CCOCC2)CC1
InChIInChI=1S/C28H32F2N4O2/c1-21(24-4-2-3-5-25(24)22-6-8-23(29)9-7-22)34-20-31-18-26(34)27(35)33-12-10-28(30,11-13-33)19-32-14-16-36-17-15-32/h2-9,18,20-21H,10-17,19H2,1H3/t21-/m0/s1
InChIKeyWSOHYFDVOUHWJV-NRFANRHFSA-N
MW494.59 g/mol
LogP4.57
Rot. Bonds6

About [4-fluoro-4-(morpholin-4-ylmethyl)piperidin-1-yl]-[3-[(1S)-1-[2-(4-fluorophenyl)phenyl]ethyl]imidazol-4-yl]methanone

[4-fluoro-4-(morpholin-4-ylmethyl)piperidin-1-yl]-[3-[(1S)-1-[2-(4-fluorophenyl)phenyl]ethyl]imidazol-4-yl]methanone (PubChem CID 90468736) has the molecular formula C28H32F2N4O2 and a molecular weight of 494.59 g/mol. Its IUPAC name is [4-fluoro-4-(morpholin-4-ylmethyl)piperidin-1-yl]-[3-[(1S)-1-[2-(4-fluorophenyl)phenyl]ethyl]imidazol-4-yl]methanone.

Molecular Properties

Compound Name[4-fluoro-4-(morpholin-4-ylmethyl)piperidin-1-yl]-[3-[(1S)-1-[2-(4-fluorophenyl)phenyl]ethyl]imidazol-4-yl]methanone
PubChem CID90468736
Molecular FormulaC28H32F2N4O2
Molecular Weight494.59 g/mol
Exact Mass494.25
IUPAC Name[4-fluoro-4-(morpholin-4-ylmethyl)piperidin-1-yl]-[3-[(1S)-1-[2-(4-fluorophenyl)phenyl]ethyl]imidazol-4-yl]methanone
SMILESC[C@@H](c1ccccc1-c1ccc(F)cc1)n1cncc1C(=O)N1CCC(F)(CN2CCOCC2)CC1
InChIInChI=1S/C28H32F2N4O2/c1-21(24-4-2-3-5-25(24)22-6-8-23(29)9-7-22)34-20-31-18-26(34)27(35)33-12-10-28(30,11-13-33)19-32-14-16-36-17-15-32/h2-9,18,20-21H,10-17,19H2,1H3/t21-/m0/s1
InChIKeyWSOHYFDVOUHWJV-NRFANRHFSA-N
XLogP4.57
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.59
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-fluoro-4-(morpholin-4-ylmethyl)piperidin-1-yl]-[3-[(1S)-1-[2-(4-fluorophenyl)phenyl]ethyl]imidazol-4-yl]methanone?
The IUPAC name of [4-fluoro-4-(morpholin-4-ylmethyl)piperidin-1-yl]-[3-[(1S)-1-[2-(4-fluorophenyl)phenyl]ethyl]imidazol-4-yl]methanone (CID 90468736) is [4-fluoro-4-(morpholin-4-ylmethyl)piperidin-1-yl]-[3-[(1S)-1-[2-(4-fluorophenyl)phenyl]ethyl]imidazol-4-yl]methanone.
What is the SMILES notation for [4-fluoro-4-(morpholin-4-ylmethyl)piperidin-1-yl]-[3-[(1S)-1-[2-(4-fluorophenyl)phenyl]ethyl]imidazol-4-yl]methanone?
The canonical SMILES for [4-fluoro-4-(morpholin-4-ylmethyl)piperidin-1-yl]-[3-[(1S)-1-[2-(4-fluorophenyl)phenyl]ethyl]imidazol-4-yl]methanone is C[C@@H](c1ccccc1-c1ccc(F)cc1)n1cncc1C(=O)N1CCC(F)(CN2CCOCC2)CC1.
What is the InChIKey of [4-fluoro-4-(morpholin-4-ylmethyl)piperidin-1-yl]-[3-[(1S)-1-[2-(4-fluorophenyl)phenyl]ethyl]imidazol-4-yl]methanone?
The InChIKey is WSOHYFDVOUHWJV-NRFANRHFSA-N. The full InChI is InChI=1S/C28H32F2N4O2/c1-21(24-4-2-3-5-25(24)22-6-8-23(29)9-7-22)34-20-31-18-26(34)27(35)33-12-10-28(30,11-13-33)19-32-14-16-36-17-15-32/h2-9,18,20-21H,10-17,19H2,1H3/t21-/m0/s1.
What are the key properties of [4-fluoro-4-(morpholin-4-ylmethyl)piperidin-1-yl]-[3-[(1S)-1-[2-(4-fluorophenyl)phenyl]ethyl]imidazol-4-yl]methanone?
[4-fluoro-4-(morpholin-4-ylmethyl)piperidin-1-yl]-[3-[(1S)-1-[2-(4-fluorophenyl)phenyl]ethyl]imidazol-4-yl]methanone has a molecular weight of 494.59 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-4-(morpholin-4-ylmethyl)piperidin-1-yl]-[3-[(1S)-1-[2-(4-fluorophenyl)phenyl]ethyl]imidazol-4-yl]methanone is sourced from PubChem (CID 90468736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).