2-ethoxy-5-(2-piperidin-1-ylethoxy)-4-propoxyfluoren-9-one;2-ethoxy-4-propoxy-5-(2-pyrrolidin-1-ylethoxy)fluoren-9-one

C49H60N2O8 — CID 162165445

IUPAC2-ethoxy-5-(2-piperidin-1-ylethoxy)-4-propoxyfluoren-9-one;2-ethoxy-4-propoxy-5-(2-pyrrolidin-1-ylethoxy)fluoren-9-one
SMILESCCCOc1cc(OCC)cc2c1-c1c(OCCN3CCCC3)cccc1C2=O.CCCOc1cc(OCC)cc2c1-c1c(OCCN3CCCCC3)cccc1C2=O
InChIInChI=1S/C25H31NO4.C24H29NO4/c1-3-14-29-22-17-18(28-4-2)16-20-24(22)23-19(25(20)27)9-8-10-21(23)30-15-13-26-11-6-5-7-12-26;1-3-13-28-21-16-17(27-4-2)15-19-23(21)22-18(24(19)26)8-7-9-20(22)29-14-12-25-10-5-6-11-25/h8-10,16-17H,3-7,11-15H2,1-2H3;7-9,15-16H,3-6,10-14H2,1-2H3
InChIKeyZNBFSOOSPINXHK-UHFFFAOYSA-N
MW805.02 g/mol
LogP9.51
Rot. Bonds18

About 2-ethoxy-5-(2-piperidin-1-ylethoxy)-4-propoxyfluoren-9-one;2-ethoxy-4-propoxy-5-(2-pyrrolidin-1-ylethoxy)fluoren-9-one

2-ethoxy-5-(2-piperidin-1-ylethoxy)-4-propoxyfluoren-9-one;2-ethoxy-4-propoxy-5-(2-pyrrolidin-1-ylethoxy)fluoren-9-one (PubChem CID 162165445) has the molecular formula C49H60N2O8 and a molecular weight of 805.02 g/mol. Its IUPAC name is 2-ethoxy-5-(2-piperidin-1-ylethoxy)-4-propoxyfluoren-9-one;2-ethoxy-4-propoxy-5-(2-pyrrolidin-1-ylethoxy)fluoren-9-one.

Molecular Properties

Compound Name2-ethoxy-5-(2-piperidin-1-ylethoxy)-4-propoxyfluoren-9-one;2-ethoxy-4-propoxy-5-(2-pyrrolidin-1-ylethoxy)fluoren-9-one
PubChem CID162165445
Molecular FormulaC49H60N2O8
Molecular Weight805.02 g/mol
Exact Mass804.43
IUPAC Name2-ethoxy-5-(2-piperidin-1-ylethoxy)-4-propoxyfluoren-9-one;2-ethoxy-4-propoxy-5-(2-pyrrolidin-1-ylethoxy)fluoren-9-one
SMILESCCCOc1cc(OCC)cc2c1-c1c(OCCN3CCCC3)cccc1C2=O.CCCOc1cc(OCC)cc2c1-c1c(OCCN3CCCCC3)cccc1C2=O
InChIInChI=1S/C25H31NO4.C24H29NO4/c1-3-14-29-22-17-18(28-4-2)16-20-24(22)23-19(25(20)27)9-8-10-21(23)30-15-13-26-11-6-5-7-12-26;1-3-13-28-21-16-17(27-4-2)15-19-23(21)22-18(24(19)26)8-7-9-20(22)29-14-12-25-10-5-6-11-25/h8-10,16-17H,3-7,11-15H2,1-2H3;7-9,15-16H,3-6,10-14H2,1-2H3
InChIKeyZNBFSOOSPINXHK-UHFFFAOYSA-N
XLogP9.51
TPSA96.00 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.02
LogP ≤ 59.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

4-ethoxy-2-propoxy-5-(2-pyrrolidin-1-ylethoxy)fluoren-9-one
CID 70189465
4-methoxy-5-(2-piperidin-1-ylethoxy)-2-propylfluoren-9-one
CID 174392258
2-butoxy-5-(3-piperidin-1-ylpropoxy)fluoren-9-one
CID 70191517
4-ethoxy-5-(2-morpholin-4-ylethoxy)fluoren-9-one
CID 19594681
1,5-bis(2-pyrrolidin-1-ylethoxy)fluoren-9-one
CID 70189484
1-amino-4-butoxy-2,5-bis(2-pyrrolidin-1-ylethoxy)fluoren-9-one
CID 70191902
4-butoxy-5-[2-(diethylamino)ethoxy]-2-ethoxyfluoren-9-one
CID 19594662
2-butoxy-5-[3-(diethylamino)propoxy]fluoren-9-one;2-butoxy-5-(2-pyrrolidin-1-ylethoxy)fluoren-9-one
CID 174391219
1-amino-4-methoxy-2,5-bis(2-piperidin-1-ylethoxy)fluoren-9-one
CID 70191890
4-butoxy-2,5-bis(2-pyrrolidin-2-ylethoxy)fluoren-9-one
CID 19594842
2,4-dimethoxy-5-(2-piperidin-1-ylethoxy)fluoren-9-one;2,4-dimethoxy-5-(1-piperidin-3-ylpropoxy)fluoren-9-one
CID 174405292
4-butoxy-2,5-bis[3-(diethylamino)propoxy]fluoren-9-one
CID 19594888

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-(2-piperidin-1-ylethoxy)-4-propoxyfluoren-9-one;2-ethoxy-4-propoxy-5-(2-pyrrolidin-1-ylethoxy)fluoren-9-one?
The IUPAC name of 2-ethoxy-5-(2-piperidin-1-ylethoxy)-4-propoxyfluoren-9-one;2-ethoxy-4-propoxy-5-(2-pyrrolidin-1-ylethoxy)fluoren-9-one (CID 162165445) is 2-ethoxy-5-(2-piperidin-1-ylethoxy)-4-propoxyfluoren-9-one;2-ethoxy-4-propoxy-5-(2-pyrrolidin-1-ylethoxy)fluoren-9-one.
What is the SMILES notation for 2-ethoxy-5-(2-piperidin-1-ylethoxy)-4-propoxyfluoren-9-one;2-ethoxy-4-propoxy-5-(2-pyrrolidin-1-ylethoxy)fluoren-9-one?
The canonical SMILES for 2-ethoxy-5-(2-piperidin-1-ylethoxy)-4-propoxyfluoren-9-one;2-ethoxy-4-propoxy-5-(2-pyrrolidin-1-ylethoxy)fluoren-9-one is CCCOc1cc(OCC)cc2c1-c1c(OCCN3CCCC3)cccc1C2=O.CCCOc1cc(OCC)cc2c1-c1c(OCCN3CCCCC3)cccc1C2=O.
What is the InChIKey of 2-ethoxy-5-(2-piperidin-1-ylethoxy)-4-propoxyfluoren-9-one;2-ethoxy-4-propoxy-5-(2-pyrrolidin-1-ylethoxy)fluoren-9-one?
The InChIKey is ZNBFSOOSPINXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31NO4.C24H29NO4/c1-3-14-29-22-17-18(28-4-2)16-20-24(22)23-19(25(20)27)9-8-10-21(23)30-15-13-26-11-6-5-7-12-26;1-3-13-28-21-16-17(27-4-2)15-19-23(21)22-18(24(19)26)8-7-9-20(22)29-14-12-25-10-5-6-11-25/h8-10,16-17H,3-7,11-15H2,1-2H3;7-9,15-16H,3-6,10-14H2,1-2H3.
What are the key properties of 2-ethoxy-5-(2-piperidin-1-ylethoxy)-4-propoxyfluoren-9-one;2-ethoxy-4-propoxy-5-(2-pyrrolidin-1-ylethoxy)fluoren-9-one?
2-ethoxy-5-(2-piperidin-1-ylethoxy)-4-propoxyfluoren-9-one;2-ethoxy-4-propoxy-5-(2-pyrrolidin-1-ylethoxy)fluoren-9-one has a molecular weight of 805.02 g/mol, XLogP of 9.51, 18 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-(2-piperidin-1-ylethoxy)-4-propoxyfluoren-9-one;2-ethoxy-4-propoxy-5-(2-pyrrolidin-1-ylethoxy)fluoren-9-one is sourced from PubChem (CID 162165445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).