6-[4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-2-yl]-3H-1,3-benzoxazol-2-one

C23H27FN2O2 — CID 142134724

IUPAC6-[4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-2-yl]-3H-1,3-benzoxazol-2-one
SMILESCC(CCN1CCC(Cc2ccc(F)cc2)CC1)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C23H27FN2O2/c1-16(19-4-7-21-22(15-19)28-23(27)25-21)8-11-26-12-9-18(10-13-26)14-17-2-5-20(24)6-3-17/h2-7,15-16,18H,8-14H2,1H3,(H,25,27)
InChIKeyAQAFKQFAKCBILY-UHFFFAOYSA-N
MW382.48 g/mol
LogP4.71
Rot. Bonds6

About 6-[4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-2-yl]-3H-1,3-benzoxazol-2-one

6-[4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-2-yl]-3H-1,3-benzoxazol-2-one (PubChem CID 142134724) has the molecular formula C23H27FN2O2 and a molecular weight of 382.48 g/mol. Its IUPAC name is 6-[4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-2-yl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-2-yl]-3H-1,3-benzoxazol-2-one
PubChem CID142134724
Molecular FormulaC23H27FN2O2
Molecular Weight382.48 g/mol
Exact Mass382.21
IUPAC Name6-[4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-2-yl]-3H-1,3-benzoxazol-2-one
SMILESCC(CCN1CCC(Cc2ccc(F)cc2)CC1)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C23H27FN2O2/c1-16(19-4-7-21-22(15-19)28-23(27)25-21)8-11-26-12-9-18(10-13-26)14-17-2-5-20(24)6-3-17/h2-7,15-16,18H,8-14H2,1H3,(H,25,27)
InChIKeyAQAFKQFAKCBILY-UHFFFAOYSA-N
XLogP4.71
TPSA49.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-2-yl]-3H-1,3-benzoxazol-2-one with MolForge

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Related Compounds

6-[2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-4,5-dihydro-1,3-thiazol-5-yl]-3H-1,3-benzoxazol-2-one
CID 18002817
5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-(2-oxo-3H-1,3-benzoxazol-6-yl)-2H-1,2-oxazole-5-carboxylic acid
CID 91101322
6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-3H-1,3-benzoxazol-2-one
CID 70018288
6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,5-dihydropyrrolo[3,2-f][1,3]benzoxazol-2-one
CID 22350190
6-(1-hydroxybutyl)-3H-1,3-benzoxazol-2-one
CID 61089511
6-(3-cyclohexyl-1-hydroxypropyl)-3H-1,3-benzoxazol-2-one
CID 61089171
6-[1-[(3aS)-5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]propan-2-yl]-3H-1,3-benzoxazol-2-one
CID 167300852
6-(1-chloro-3-methylbutyl)-3H-1,3-benzoxazol-2-one
CID 61086442
6-(3-aminobutyl)-3H-1,3-benzoxazol-2-one
CID 82492156
6-[(3,5-difluorophenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one
CID 43486093
6-(1-bromo-3-cyclohexylpropyl)-3H-1,3-benzoxazol-2-one
CID 63441549
5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1-methylpiperidin-2-one
CID 138810002

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-2-yl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-[4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-2-yl]-3H-1,3-benzoxazol-2-one (CID 142134724) is 6-[4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-2-yl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-2-yl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-2-yl]-3H-1,3-benzoxazol-2-one is CC(CCN1CCC(Cc2ccc(F)cc2)CC1)c1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of 6-[4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-2-yl]-3H-1,3-benzoxazol-2-one?
The InChIKey is AQAFKQFAKCBILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O2/c1-16(19-4-7-21-22(15-19)28-23(27)25-21)8-11-26-12-9-18(10-13-26)14-17-2-5-20(24)6-3-17/h2-7,15-16,18H,8-14H2,1H3,(H,25,27).
What are the key properties of 6-[4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-2-yl]-3H-1,3-benzoxazol-2-one?
6-[4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-2-yl]-3H-1,3-benzoxazol-2-one has a molecular weight of 382.48 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-2-yl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 142134724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).