5-(1-piperidin-3-ylpropoxy)-2,4-dipropoxyfluoren-9-one

C27H35NO4 — CID 19594648

IUPAC5-(1-piperidin-3-ylpropoxy)-2,4-dipropoxyfluoren-9-one
SMILESCCCOc1cc(OCCC)c2c(c1)C(=O)c1cccc(OC(CC)C3CCCNC3)c1-2
InChIInChI=1S/C27H35NO4/c1-4-13-30-19-15-21-26(24(16-19)31-14-5-2)25-20(27(21)29)10-7-11-23(25)32-22(6-3)18-9-8-12-28-17-18/h7,10-11,15-16,18,22,28H,4-6,8-9,12-14,17H2,1-3H3
InChIKeyADLYRSVUZSGJBH-UHFFFAOYSA-N
MW437.58 g/mol
LogP5.63
Rot. Bonds10

About 5-(1-piperidin-3-ylpropoxy)-2,4-dipropoxyfluoren-9-one

5-(1-piperidin-3-ylpropoxy)-2,4-dipropoxyfluoren-9-one (PubChem CID 19594648) has the molecular formula C27H35NO4 and a molecular weight of 437.58 g/mol. Its IUPAC name is 5-(1-piperidin-3-ylpropoxy)-2,4-dipropoxyfluoren-9-one.

Molecular Properties

Compound Name5-(1-piperidin-3-ylpropoxy)-2,4-dipropoxyfluoren-9-one
PubChem CID19594648
Molecular FormulaC27H35NO4
Molecular Weight437.58 g/mol
Exact Mass437.26
IUPAC Name5-(1-piperidin-3-ylpropoxy)-2,4-dipropoxyfluoren-9-one
SMILESCCCOc1cc(OCCC)c2c(c1)C(=O)c1cccc(OC(CC)C3CCCNC3)c1-2
InChIInChI=1S/C27H35NO4/c1-4-13-30-19-15-21-26(24(16-19)31-14-5-2)25-20(27(21)29)10-7-11-23(25)32-22(6-3)18-9-8-12-28-17-18/h7,10-11,15-16,18,22,28H,4-6,8-9,12-14,17H2,1-3H3
InChIKeyADLYRSVUZSGJBH-UHFFFAOYSA-N
XLogP5.63
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.58
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,7-Dimethoxy-2-(4-piperidin-4-yloxyphenyl)chromen-4-one
CID 90681388
2-(3,5-Dihydroxyphenyl)-4,6-dihydroxy-3-(4-(2-(piperidin-1-yl)ethoxy)-phenyl)-2,3-dihydro-1h-inden-1-one
CID 138377436
2-(3,5-Dihydroxyphenyl)-4,6-dihydroxy-3-(4-(2-(4-methylpiperidin-1-yl)-ethoxy)phenyl)-2,3-dihydro-1h-inden-1-one
CID 138377452
2-(3,5-Dihydroxyphenyl)-4,6-dihydroxy-3-(4-(2-(2-methylpiperidin-1-yl)-ethoxy)phenyl)-2,3-dihydro-1h-inden-1-one
CID 138377454
2-(3,5-Dimethoxyphenyl)-4,6-dimethoxy-3-(4-(2-(piperidin-1-yl)ethoxy)-phenyl)-2,3-dihydro-1h-inden-1-one
CID 138377487
2-(3,5-Dimethoxyphenyl)-4,6-dimethoxy-3-(4-(2-(4-methylpiperidin-1-yl)-ethoxy)phenyl)-2,3-dihydro-1h-inden-1-one
CID 138377495
5-(2-Diethylamino-ethoxy)-4-methoxy-2-propoxy-fluoren-9-one
CID 9800193
4-Methoxy-5-(2-piperidin-1-ylethoxy)-2-propoxyfluoren-9-one
CID 9865466
4-Methoxy-5-(2-morpholin-4-ylethoxy)-2-propoxyfluoren-9-one
CID 9865562
5-(2-Diethylamino-ethoxy)-2,4-dimethoxy-fluoren-9-one
CID 9884986
5-Isopropoxy-2-propoxy-4-methoxy-fluoren-9-one
CID 11141969
5,7-Dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one
CID 11231574

Frequently Asked Questions

What is the IUPAC name of 5-(1-piperidin-3-ylpropoxy)-2,4-dipropoxyfluoren-9-one?
The IUPAC name of 5-(1-piperidin-3-ylpropoxy)-2,4-dipropoxyfluoren-9-one (CID 19594648) is 5-(1-piperidin-3-ylpropoxy)-2,4-dipropoxyfluoren-9-one.
What is the SMILES notation for 5-(1-piperidin-3-ylpropoxy)-2,4-dipropoxyfluoren-9-one?
The canonical SMILES for 5-(1-piperidin-3-ylpropoxy)-2,4-dipropoxyfluoren-9-one is CCCOc1cc(OCCC)c2c(c1)C(=O)c1cccc(OC(CC)C3CCCNC3)c1-2.
What is the InChIKey of 5-(1-piperidin-3-ylpropoxy)-2,4-dipropoxyfluoren-9-one?
The InChIKey is ADLYRSVUZSGJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35NO4/c1-4-13-30-19-15-21-26(24(16-19)31-14-5-2)25-20(27(21)29)10-7-11-23(25)32-22(6-3)18-9-8-12-28-17-18/h7,10-11,15-16,18,22,28H,4-6,8-9,12-14,17H2,1-3H3.
What are the key properties of 5-(1-piperidin-3-ylpropoxy)-2,4-dipropoxyfluoren-9-one?
5-(1-piperidin-3-ylpropoxy)-2,4-dipropoxyfluoren-9-one has a molecular weight of 437.58 g/mol, XLogP of 5.63, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-piperidin-3-ylpropoxy)-2,4-dipropoxyfluoren-9-one is sourced from PubChem (CID 19594648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).