7-fluoro-N-[1-(1H-indol-6-ylmethyl)piperidin-4-yl]-4-oxochromene-2-carboxamide

C24H22FN3O3 — CID 11495432

IUPAC7-fluoro-N-[1-(1H-indol-6-ylmethyl)piperidin-4-yl]-4-oxochromene-2-carboxamide
SMILESO=C(NC1CCN(Cc2ccc3cc[nH]c3c2)CC1)c1cc(=O)c2ccc(F)cc2o1
InChIInChI=1S/C24H22FN3O3/c25-17-3-4-19-21(29)13-23(31-22(19)12-17)24(30)27-18-6-9-28(10-7-18)14-15-1-2-16-5-8-26-20(16)11-15/h1-5,8,11-13,18,26H,6-7,9-10,14H2,(H,27,30)
InChIKeyJQTAYQKKSGXRPR-UHFFFAOYSA-N
MW419.46 g/mol
LogP3.81
Rot. Bonds4

About 7-fluoro-N-[1-(1H-indol-6-ylmethyl)piperidin-4-yl]-4-oxochromene-2-carboxamide

7-fluoro-N-[1-(1H-indol-6-ylmethyl)piperidin-4-yl]-4-oxochromene-2-carboxamide (PubChem CID 11495432) has the molecular formula C24H22FN3O3 and a molecular weight of 419.46 g/mol. Its IUPAC name is 7-fluoro-N-[1-(1H-indol-6-ylmethyl)piperidin-4-yl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[1-(1H-indol-6-ylmethyl)piperidin-4-yl]-4-oxochromene-2-carboxamide
PubChem CID11495432
Molecular FormulaC24H22FN3O3
Molecular Weight419.46 g/mol
Exact Mass419.16
IUPAC Name7-fluoro-N-[1-(1H-indol-6-ylmethyl)piperidin-4-yl]-4-oxochromene-2-carboxamide
SMILESO=C(NC1CCN(Cc2ccc3cc[nH]c3c2)CC1)c1cc(=O)c2ccc(F)cc2o1
InChIInChI=1S/C24H22FN3O3/c25-17-3-4-19-21(29)13-23(31-22(19)12-17)24(30)27-18-6-9-28(10-7-18)14-15-1-2-16-5-8-26-20(16)11-15/h1-5,8,11-13,18,26H,6-7,9-10,14H2,(H,27,30)
InChIKeyJQTAYQKKSGXRPR-UHFFFAOYSA-N
XLogP3.81
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[1-(1H-indol-6-ylmethyl)piperidin-4-yl]-4-oxochromene-2-carboxamide?
The IUPAC name of 7-fluoro-N-[1-(1H-indol-6-ylmethyl)piperidin-4-yl]-4-oxochromene-2-carboxamide (CID 11495432) is 7-fluoro-N-[1-(1H-indol-6-ylmethyl)piperidin-4-yl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for 7-fluoro-N-[1-(1H-indol-6-ylmethyl)piperidin-4-yl]-4-oxochromene-2-carboxamide?
The canonical SMILES for 7-fluoro-N-[1-(1H-indol-6-ylmethyl)piperidin-4-yl]-4-oxochromene-2-carboxamide is O=C(NC1CCN(Cc2ccc3cc[nH]c3c2)CC1)c1cc(=O)c2ccc(F)cc2o1.
What is the InChIKey of 7-fluoro-N-[1-(1H-indol-6-ylmethyl)piperidin-4-yl]-4-oxochromene-2-carboxamide?
The InChIKey is JQTAYQKKSGXRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O3/c25-17-3-4-19-21(29)13-23(31-22(19)12-17)24(30)27-18-6-9-28(10-7-18)14-15-1-2-16-5-8-26-20(16)11-15/h1-5,8,11-13,18,26H,6-7,9-10,14H2,(H,27,30).
What are the key properties of 7-fluoro-N-[1-(1H-indol-6-ylmethyl)piperidin-4-yl]-4-oxochromene-2-carboxamide?
7-fluoro-N-[1-(1H-indol-6-ylmethyl)piperidin-4-yl]-4-oxochromene-2-carboxamide has a molecular weight of 419.46 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[1-(1H-indol-6-ylmethyl)piperidin-4-yl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 11495432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).