6-methyl-3-[1-(9-oxofluorene-4-carbonyl)piperidin-4-yl]-1,3-benzoxazol-2-one

C27H22N2O4 — CID 46085024

IUPAC6-methyl-3-[1-(9-oxofluorene-4-carbonyl)piperidin-4-yl]-1,3-benzoxazol-2-one
SMILESCc1ccc2c(c1)oc(=O)n2C1CCN(C(=O)c2cccc3c2-c2ccccc2C3=O)CC1
InChIInChI=1S/C27H22N2O4/c1-16-9-10-22-23(15-16)33-27(32)29(22)17-11-13-28(14-12-17)26(31)21-8-4-7-20-24(21)18-5-2-3-6-19(18)25(20)30/h2-10,15,17H,11-14H2,1H3
InChIKeyCDJACBWWODNJNT-UHFFFAOYSA-N
MW438.48 g/mol
LogP4.59
Rot. Bonds2

About 6-methyl-3-[1-(9-oxofluorene-4-carbonyl)piperidin-4-yl]-1,3-benzoxazol-2-one

6-methyl-3-[1-(9-oxofluorene-4-carbonyl)piperidin-4-yl]-1,3-benzoxazol-2-one (PubChem CID 46085024) has the molecular formula C27H22N2O4 and a molecular weight of 438.48 g/mol. Its IUPAC name is 6-methyl-3-[1-(9-oxofluorene-4-carbonyl)piperidin-4-yl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-methyl-3-[1-(9-oxofluorene-4-carbonyl)piperidin-4-yl]-1,3-benzoxazol-2-one
PubChem CID46085024
Molecular FormulaC27H22N2O4
Molecular Weight438.48 g/mol
Exact Mass438.16
IUPAC Name6-methyl-3-[1-(9-oxofluorene-4-carbonyl)piperidin-4-yl]-1,3-benzoxazol-2-one
SMILESCc1ccc2c(c1)oc(=O)n2C1CCN(C(=O)c2cccc3c2-c2ccccc2C3=O)CC1
InChIInChI=1S/C27H22N2O4/c1-16-9-10-22-23(15-16)33-27(32)29(22)17-11-13-28(14-12-17)26(31)21-8-4-7-20-24(21)18-5-2-3-6-19(18)25(20)30/h2-10,15,17H,11-14H2,1H3
InChIKeyCDJACBWWODNJNT-UHFFFAOYSA-N
XLogP4.59
TPSA72.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-methyl-3-[1-(9-oxofluorene-4-carbonyl)piperidin-4-yl]-1,3-benzoxazol-2-one with MolForge

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Related Compounds

3-cyclopentyl-6-methyl-1,3-benzoxazol-2-one
CID 54073449
3-[1-(2,2-dichloroacetyl)piperidin-4-yl]-5-methyl-1,3-benzoxazol-2-one
CID 46081488
3-[2-oxo-2-[4-(2-oxo-1,3-benzoxazol-3-yl)piperidin-1-yl]ethyl]benzoic acid
CID 175101505
4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]fluoren-9-one
CID 23993807
2-[1-(2-methylbenzoyl)piperidin-4-yl]isoindole-1,3-dione
CID 113082504
tert-butyl 1-[3-methoxy-4-[4-(2-oxo-1,3-benzoxazol-3-yl)piperidine-1-carbonyl]phenoxy]piperidine-4-carboxylate
CID 70079018
3-[1-[4-(1,1-dihydroxy-5-methoxy-3-oxo-1,2-benzothiazol-2-yl)butyl]piperidin-4-yl]-6-methyl-1,3-benzoxazol-2-one
CID 67657426
3-[1-(4-methoxybenzoyl)piperidin-4-yl]-5,7-dimethyl-1,3-benzoxazol-2-one
CID 46081475
3-[1-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-1,3-benzoxazol-2-one
CID 95808233
4-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]fluoren-9-one
CID 23855199
tert-butyl 4-[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-benzoxazol-6-yl]piperidine-1-carboxylate
CID 156708848
3-[1-(3,4-difluorobenzoyl)piperidin-4-yl]-5-fluoro-1,3-benzoxazol-2-one
CID 46081499

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[1-(9-oxofluorene-4-carbonyl)piperidin-4-yl]-1,3-benzoxazol-2-one?
The IUPAC name of 6-methyl-3-[1-(9-oxofluorene-4-carbonyl)piperidin-4-yl]-1,3-benzoxazol-2-one (CID 46085024) is 6-methyl-3-[1-(9-oxofluorene-4-carbonyl)piperidin-4-yl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-methyl-3-[1-(9-oxofluorene-4-carbonyl)piperidin-4-yl]-1,3-benzoxazol-2-one?
The canonical SMILES for 6-methyl-3-[1-(9-oxofluorene-4-carbonyl)piperidin-4-yl]-1,3-benzoxazol-2-one is Cc1ccc2c(c1)oc(=O)n2C1CCN(C(=O)c2cccc3c2-c2ccccc2C3=O)CC1.
What is the InChIKey of 6-methyl-3-[1-(9-oxofluorene-4-carbonyl)piperidin-4-yl]-1,3-benzoxazol-2-one?
The InChIKey is CDJACBWWODNJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O4/c1-16-9-10-22-23(15-16)33-27(32)29(22)17-11-13-28(14-12-17)26(31)21-8-4-7-20-24(21)18-5-2-3-6-19(18)25(20)30/h2-10,15,17H,11-14H2,1H3.
What are the key properties of 6-methyl-3-[1-(9-oxofluorene-4-carbonyl)piperidin-4-yl]-1,3-benzoxazol-2-one?
6-methyl-3-[1-(9-oxofluorene-4-carbonyl)piperidin-4-yl]-1,3-benzoxazol-2-one has a molecular weight of 438.48 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[1-(9-oxofluorene-4-carbonyl)piperidin-4-yl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 46085024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).