2-(4-acetylpiperidin-1-yl)-N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]acetamide

C35H35N3O5 — CID 59335367

IUPAC2-(4-acetylpiperidin-1-yl)-N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]acetamide
SMILESCC(=O)C1CCN(CC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc34)c3c2-c2ccccc2C3)CC1
InChIInChI=1S/C35H35N3O5/c1-22(39)23-11-13-37(14-12-23)21-32(41)36-30-10-9-26(29-19-24-5-2-3-6-25(24)34(29)30)27-7-4-8-28-31(40)20-33(43-35(27)28)38-15-17-42-18-16-38/h2-10,20,23H,11-19,21H2,1H3,(H,36,41)
InChIKeyYCPDIHNQOQAUMB-UHFFFAOYSA-N
MW577.68 g/mol
LogP5.11
Rot. Bonds6

About 2-(4-acetylpiperidin-1-yl)-N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]acetamide

2-(4-acetylpiperidin-1-yl)-N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]acetamide (PubChem CID 59335367) has the molecular formula C35H35N3O5 and a molecular weight of 577.68 g/mol. Its IUPAC name is 2-(4-acetylpiperidin-1-yl)-N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-acetylpiperidin-1-yl)-N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]acetamide
PubChem CID59335367
Molecular FormulaC35H35N3O5
Molecular Weight577.68 g/mol
Exact Mass577.26
IUPAC Name2-(4-acetylpiperidin-1-yl)-N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]acetamide
SMILESCC(=O)C1CCN(CC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc34)c3c2-c2ccccc2C3)CC1
InChIInChI=1S/C35H35N3O5/c1-22(39)23-11-13-37(14-12-23)21-32(41)36-30-10-9-26(29-19-24-5-2-3-6-25(24)34(29)30)27-7-4-8-28-31(40)20-33(43-35(27)28)38-15-17-42-18-16-38/h2-10,20,23H,11-19,21H2,1H3,(H,36,41)
InChIKeyYCPDIHNQOQAUMB-UHFFFAOYSA-N
XLogP5.11
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.68
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperidin-1-yl)-N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]acetamide?
The IUPAC name of 2-(4-acetylpiperidin-1-yl)-N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]acetamide (CID 59335367) is 2-(4-acetylpiperidin-1-yl)-N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]acetamide.
What is the SMILES notation for 2-(4-acetylpiperidin-1-yl)-N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]acetamide?
The canonical SMILES for 2-(4-acetylpiperidin-1-yl)-N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]acetamide is CC(=O)C1CCN(CC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc34)c3c2-c2ccccc2C3)CC1.
What is the InChIKey of 2-(4-acetylpiperidin-1-yl)-N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]acetamide?
The InChIKey is YCPDIHNQOQAUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35N3O5/c1-22(39)23-11-13-37(14-12-23)21-32(41)36-30-10-9-26(29-19-24-5-2-3-6-25(24)34(29)30)27-7-4-8-28-31(40)20-33(43-35(27)28)38-15-17-42-18-16-38/h2-10,20,23H,11-19,21H2,1H3,(H,36,41).
What are the key properties of 2-(4-acetylpiperidin-1-yl)-N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]acetamide?
2-(4-acetylpiperidin-1-yl)-N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]acetamide has a molecular weight of 577.68 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperidin-1-yl)-N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]acetamide is sourced from PubChem (CID 59335367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).