N-[4-oxo-3-(4-piperidin-1-ylphenyl)-1H-indeno[2,1-d]pyrazol-5-yl]acetamide

C23H22N4O2 — CID 5329614

IUPACN-[4-oxo-3-(4-piperidin-1-ylphenyl)-1H-indeno[2,1-d]pyrazol-5-yl]acetamide
SMILESCC(=O)Nc1cccc2c1C(=O)c1c(-c3ccc(N4CCCCC4)cc3)n[nH]c1-2
InChIInChI=1S/C23H22N4O2/c1-14(28)24-18-7-5-6-17-19(18)23(29)20-21(25-26-22(17)20)15-8-10-16(11-9-15)27-12-3-2-4-13-27/h5-11H,2-4,12-13H2,1H3,(H,24,28)(H,25,26)
InChIKeyJKWXTLCPNJPXPV-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.24
Rot. Bonds3

About N-[4-oxo-3-(4-piperidin-1-ylphenyl)-1H-indeno[2,1-d]pyrazol-5-yl]acetamide

N-[4-oxo-3-(4-piperidin-1-ylphenyl)-1H-indeno[2,1-d]pyrazol-5-yl]acetamide (PubChem CID 5329614) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is N-[4-oxo-3-(4-piperidin-1-ylphenyl)-1H-indeno[2,1-d]pyrazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[4-oxo-3-(4-piperidin-1-ylphenyl)-1H-indeno[2,1-d]pyrazol-5-yl]acetamide
PubChem CID5329614
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC NameN-[4-oxo-3-(4-piperidin-1-ylphenyl)-1H-indeno[2,1-d]pyrazol-5-yl]acetamide
SMILESCC(=O)Nc1cccc2c1C(=O)c1c(-c3ccc(N4CCCCC4)cc3)n[nH]c1-2
InChIInChI=1S/C23H22N4O2/c1-14(28)24-18-7-5-6-17-19(18)23(29)20-21(25-26-22(17)20)15-8-10-16(11-9-15)27-12-3-2-4-13-27/h5-11H,2-4,12-13H2,1H3,(H,24,28)(H,25,26)
InChIKeyJKWXTLCPNJPXPV-UHFFFAOYSA-N
XLogP4.24
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-3-(4-piperidin-1-ylphenyl)-1H-indeno[2,1-d]pyrazol-5-yl]acetamide?
The IUPAC name of N-[4-oxo-3-(4-piperidin-1-ylphenyl)-1H-indeno[2,1-d]pyrazol-5-yl]acetamide (CID 5329614) is N-[4-oxo-3-(4-piperidin-1-ylphenyl)-1H-indeno[2,1-d]pyrazol-5-yl]acetamide.
What is the SMILES notation for N-[4-oxo-3-(4-piperidin-1-ylphenyl)-1H-indeno[2,1-d]pyrazol-5-yl]acetamide?
The canonical SMILES for N-[4-oxo-3-(4-piperidin-1-ylphenyl)-1H-indeno[2,1-d]pyrazol-5-yl]acetamide is CC(=O)Nc1cccc2c1C(=O)c1c(-c3ccc(N4CCCCC4)cc3)n[nH]c1-2.
What is the InChIKey of N-[4-oxo-3-(4-piperidin-1-ylphenyl)-1H-indeno[2,1-d]pyrazol-5-yl]acetamide?
The InChIKey is JKWXTLCPNJPXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-14(28)24-18-7-5-6-17-19(18)23(29)20-21(25-26-22(17)20)15-8-10-16(11-9-15)27-12-3-2-4-13-27/h5-11H,2-4,12-13H2,1H3,(H,24,28)(H,25,26).
What are the key properties of N-[4-oxo-3-(4-piperidin-1-ylphenyl)-1H-indeno[2,1-d]pyrazol-5-yl]acetamide?
N-[4-oxo-3-(4-piperidin-1-ylphenyl)-1H-indeno[2,1-d]pyrazol-5-yl]acetamide has a molecular weight of 386.46 g/mol, XLogP of 4.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-3-(4-piperidin-1-ylphenyl)-1H-indeno[2,1-d]pyrazol-5-yl]acetamide is sourced from PubChem (CID 5329614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).