N-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2,5-dioxopyrrolidin-3-yl]cyclohexanecarboxamide

C24H34N4O4 — CID 74440930

IUPACN-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2,5-dioxopyrrolidin-3-yl]cyclohexanecarboxamide
SMILESCOc1ccccc1N1CCN(CCN2C(=O)CC(NC(=O)C3CCCCC3)C2=O)CC1
InChIInChI=1S/C24H34N4O4/c1-32-21-10-6-5-9-20(21)27-14-11-26(12-15-27)13-16-28-22(29)17-19(24(28)31)25-23(30)18-7-3-2-4-8-18/h5-6,9-10,18-19H,2-4,7-8,11-17H2,1H3,(H,25,30)
InChIKeyFLGMVEBUAIPRHI-UHFFFAOYSA-N
MW442.56 g/mol
LogP1.64
Rot. Bonds7

About N-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2,5-dioxopyrrolidin-3-yl]cyclohexanecarboxamide

N-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2,5-dioxopyrrolidin-3-yl]cyclohexanecarboxamide (PubChem CID 74440930) has the molecular formula C24H34N4O4 and a molecular weight of 442.56 g/mol. Its IUPAC name is N-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2,5-dioxopyrrolidin-3-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2,5-dioxopyrrolidin-3-yl]cyclohexanecarboxamide
PubChem CID74440930
Molecular FormulaC24H34N4O4
Molecular Weight442.56 g/mol
Exact Mass442.26
IUPAC NameN-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2,5-dioxopyrrolidin-3-yl]cyclohexanecarboxamide
SMILESCOc1ccccc1N1CCN(CCN2C(=O)CC(NC(=O)C3CCCCC3)C2=O)CC1
InChIInChI=1S/C24H34N4O4/c1-32-21-10-6-5-9-20(21)27-14-11-26(12-15-27)13-16-28-22(29)17-19(24(28)31)25-23(30)18-7-3-2-4-8-18/h5-6,9-10,18-19H,2-4,7-8,11-17H2,1H3,(H,25,30)
InChIKeyFLGMVEBUAIPRHI-UHFFFAOYSA-N
XLogP1.64
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]cyclopentanecarboxamide
CID 10451105
(8aS)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 986067
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-N-methylcyclohexanecarboxamide
CID 139835093
N'-cyclohexyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]oxamide
CID 42389613
1-cycloheptyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one
CID 15524030
cyclopentyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4084330
2-[[2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]cyclohexyl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 67446337
9-acetyl-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3,9-diazaspiro[5.5]undecane-2,4-dione
CID 11201573
N-(cyclohexylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 2653840
N-[cyclohexyl(phenyl)methyl]-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 14208395
(E)-1-cyclohexyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-en-1-one
CID 110184594
3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 10849160

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2,5-dioxopyrrolidin-3-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2,5-dioxopyrrolidin-3-yl]cyclohexanecarboxamide (CID 74440930) is N-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2,5-dioxopyrrolidin-3-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2,5-dioxopyrrolidin-3-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2,5-dioxopyrrolidin-3-yl]cyclohexanecarboxamide is COc1ccccc1N1CCN(CCN2C(=O)CC(NC(=O)C3CCCCC3)C2=O)CC1.
What is the InChIKey of N-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2,5-dioxopyrrolidin-3-yl]cyclohexanecarboxamide?
The InChIKey is FLGMVEBUAIPRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O4/c1-32-21-10-6-5-9-20(21)27-14-11-26(12-15-27)13-16-28-22(29)17-19(24(28)31)25-23(30)18-7-3-2-4-8-18/h5-6,9-10,18-19H,2-4,7-8,11-17H2,1H3,(H,25,30).
What are the key properties of N-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2,5-dioxopyrrolidin-3-yl]cyclohexanecarboxamide?
N-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2,5-dioxopyrrolidin-3-yl]cyclohexanecarboxamide has a molecular weight of 442.56 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2,5-dioxopyrrolidin-3-yl]cyclohexanecarboxamide is sourced from PubChem (CID 74440930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).