N-(1-methylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide

C23H26N4O2 — CID 146296943

IUPACN-(1-methylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide
SMILESCc1ccc(CN2CCN(C(=O)C(=O)Nc3ccc4c(ccn4C)c3)CC2)cc1
InChIInChI=1S/C23H26N4O2/c1-17-3-5-18(6-4-17)16-26-11-13-27(14-12-26)23(29)22(28)24-20-7-8-21-19(15-20)9-10-25(21)2/h3-10,15H,11-14,16H2,1-2H3,(H,24,28)
InChIKeyRTVAJYMKSUWXID-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.77
Rot. Bonds3

About N-(1-methylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide

N-(1-methylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide (PubChem CID 146296943) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-(1-methylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(1-methylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide
PubChem CID146296943
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-(1-methylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide
SMILESCc1ccc(CN2CCN(C(=O)C(=O)Nc3ccc4c(ccn4C)c3)CC2)cc1
InChIInChI=1S/C23H26N4O2/c1-17-3-5-18(6-4-17)16-26-11-13-27(14-12-26)23(29)22(28)24-20-7-8-21-19(15-20)9-10-25(21)2/h3-10,15H,11-14,16H2,1-2H3,(H,24,28)
InChIKeyRTVAJYMKSUWXID-UHFFFAOYSA-N
XLogP2.77
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(1-methylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide (CID 146296943) is N-(1-methylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(1-methylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(1-methylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide is Cc1ccc(CN2CCN(C(=O)C(=O)Nc3ccc4c(ccn4C)c3)CC2)cc1.
What is the InChIKey of N-(1-methylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide?
The InChIKey is RTVAJYMKSUWXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-17-3-5-18(6-4-17)16-26-11-13-27(14-12-26)23(29)22(28)24-20-7-8-21-19(15-20)9-10-25(21)2/h3-10,15H,11-14,16H2,1-2H3,(H,24,28).
What are the key properties of N-(1-methylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide?
N-(1-methylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide has a molecular weight of 390.49 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 146296943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).