6-[4-(6-chloro-1H-indol-2-yl)piperidine-1-carbonyl]-4H-chromen-3-one

C23H21ClN2O3 — CID 159184746

IUPAC6-[4-(6-chloro-1H-indol-2-yl)piperidine-1-carbonyl]-4H-chromen-3-one
SMILESO=C1COc2ccc(C(=O)N3CCC(c4cc5ccc(Cl)cc5[nH]4)CC3)cc2C1
InChIInChI=1S/C23H21ClN2O3/c24-18-3-1-15-11-20(25-21(15)12-18)14-5-7-26(8-6-14)23(28)16-2-4-22-17(9-16)10-19(27)13-29-22/h1-4,9,11-12,14,25H,5-8,10,13H2
InChIKeyKNIOEQDVGRETPE-UHFFFAOYSA-N
MW408.89 g/mol
LogP4.35
Rot. Bonds2

About 6-[4-(6-chloro-1H-indol-2-yl)piperidine-1-carbonyl]-4H-chromen-3-one

6-[4-(6-chloro-1H-indol-2-yl)piperidine-1-carbonyl]-4H-chromen-3-one (PubChem CID 159184746) has the molecular formula C23H21ClN2O3 and a molecular weight of 408.89 g/mol. Its IUPAC name is 6-[4-(6-chloro-1H-indol-2-yl)piperidine-1-carbonyl]-4H-chromen-3-one.

Molecular Properties

Compound Name6-[4-(6-chloro-1H-indol-2-yl)piperidine-1-carbonyl]-4H-chromen-3-one
PubChem CID159184746
Molecular FormulaC23H21ClN2O3
Molecular Weight408.89 g/mol
Exact Mass408.12
IUPAC Name6-[4-(6-chloro-1H-indol-2-yl)piperidine-1-carbonyl]-4H-chromen-3-one
SMILESO=C1COc2ccc(C(=O)N3CCC(c4cc5ccc(Cl)cc5[nH]4)CC3)cc2C1
InChIInChI=1S/C23H21ClN2O3/c24-18-3-1-15-11-20(25-21(15)12-18)14-5-7-26(8-6-14)23(28)16-2-4-22-17(9-16)10-19(27)13-29-22/h1-4,9,11-12,14,25H,5-8,10,13H2
InChIKeyKNIOEQDVGRETPE-UHFFFAOYSA-N
XLogP4.35
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(6-chloro-1H-indol-2-yl)piperidine-1-carbonyl]-4H-chromen-3-one?
The IUPAC name of 6-[4-(6-chloro-1H-indol-2-yl)piperidine-1-carbonyl]-4H-chromen-3-one (CID 159184746) is 6-[4-(6-chloro-1H-indol-2-yl)piperidine-1-carbonyl]-4H-chromen-3-one.
What is the SMILES notation for 6-[4-(6-chloro-1H-indol-2-yl)piperidine-1-carbonyl]-4H-chromen-3-one?
The canonical SMILES for 6-[4-(6-chloro-1H-indol-2-yl)piperidine-1-carbonyl]-4H-chromen-3-one is O=C1COc2ccc(C(=O)N3CCC(c4cc5ccc(Cl)cc5[nH]4)CC3)cc2C1.
What is the InChIKey of 6-[4-(6-chloro-1H-indol-2-yl)piperidine-1-carbonyl]-4H-chromen-3-one?
The InChIKey is KNIOEQDVGRETPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O3/c24-18-3-1-15-11-20(25-21(15)12-18)14-5-7-26(8-6-14)23(28)16-2-4-22-17(9-16)10-19(27)13-29-22/h1-4,9,11-12,14,25H,5-8,10,13H2.
What are the key properties of 6-[4-(6-chloro-1H-indol-2-yl)piperidine-1-carbonyl]-4H-chromen-3-one?
6-[4-(6-chloro-1H-indol-2-yl)piperidine-1-carbonyl]-4H-chromen-3-one has a molecular weight of 408.89 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(6-chloro-1H-indol-2-yl)piperidine-1-carbonyl]-4H-chromen-3-one is sourced from PubChem (CID 159184746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).