N-[(4-fluorophenyl)methyl]-2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide

C24H25F2N3O2 — CID 26742921

IUPACN-[(4-fluorophenyl)methyl]-2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide
SMILESO=C(C[C@@H]1CCNC[C@@H]1Cc1cc(-c2ccc(F)cc2)on1)NCc1ccc(F)cc1
InChIInChI=1S/C24H25F2N3O2/c25-20-5-1-16(2-6-20)14-28-24(30)12-18-9-10-27-15-19(18)11-22-13-23(31-29-22)17-3-7-21(26)8-4-17/h1-8,13,18-19,27H,9-12,14-15H2,(H,28,30)/t18-,19-/m0/s1
InChIKeyQIOWKOGYPCBJNB-OALUTQOASA-N
MW425.48 g/mol
LogP4.09
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide

N-[(4-fluorophenyl)methyl]-2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide (PubChem CID 26742921) has the molecular formula C24H25F2N3O2 and a molecular weight of 425.48 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide
PubChem CID26742921
Molecular FormulaC24H25F2N3O2
Molecular Weight425.48 g/mol
Exact Mass425.19
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide
SMILESO=C(C[C@@H]1CCNC[C@@H]1Cc1cc(-c2ccc(F)cc2)on1)NCc1ccc(F)cc1
InChIInChI=1S/C24H25F2N3O2/c25-20-5-1-16(2-6-20)14-28-24(30)12-18-9-10-27-15-19(18)11-22-13-23(31-29-22)17-3-7-21(26)8-4-17/h1-8,13,18-19,27H,9-12,14-15H2,(H,28,30)/t18-,19-/m0/s1
InChIKeyQIOWKOGYPCBJNB-OALUTQOASA-N
XLogP4.09
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.48
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide (CID 26742921) is N-[(4-fluorophenyl)methyl]-2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide is O=C(C[C@@H]1CCNC[C@@H]1Cc1cc(-c2ccc(F)cc2)on1)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide?
The InChIKey is QIOWKOGYPCBJNB-OALUTQOASA-N. The full InChI is InChI=1S/C24H25F2N3O2/c25-20-5-1-16(2-6-20)14-28-24(30)12-18-9-10-27-15-19(18)11-22-13-23(31-29-22)17-3-7-21(26)8-4-17/h1-8,13,18-19,27H,9-12,14-15H2,(H,28,30)/t18-,19-/m0/s1.
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide?
N-[(4-fluorophenyl)methyl]-2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide has a molecular weight of 425.48 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 26742921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).