N-benzyl-N-[2-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]anilino]-2-oxoethyl]cyclopentanecarboxamide

C33H38N4O4 — CID 42676161

IUPACN-benzyl-N-[2-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]anilino]-2-oxoethyl]cyclopentanecarboxamide
SMILESCOc1ccc(C(=O)N2CCN(c3ccc(NC(=O)CN(Cc4ccccc4)C(=O)C4CCCC4)cc3)CC2)cc1
InChIInChI=1S/C33H38N4O4/c1-41-30-17-11-27(12-18-30)32(39)36-21-19-35(20-22-36)29-15-13-28(14-16-29)34-31(38)24-37(23-25-7-3-2-4-8-25)33(40)26-9-5-6-10-26/h2-4,7-8,11-18,26H,5-6,9-10,19-24H2,1H3,(H,34,38)
InChIKeyGFZHASMNEMESHN-UHFFFAOYSA-N
MW554.69 g/mol
LogP4.82
Rot. Bonds9

About N-benzyl-N-[2-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]anilino]-2-oxoethyl]cyclopentanecarboxamide

N-benzyl-N-[2-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]anilino]-2-oxoethyl]cyclopentanecarboxamide (PubChem CID 42676161) has the molecular formula C33H38N4O4 and a molecular weight of 554.69 g/mol. Its IUPAC name is N-benzyl-N-[2-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]anilino]-2-oxoethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-benzyl-N-[2-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]anilino]-2-oxoethyl]cyclopentanecarboxamide
PubChem CID42676161
Molecular FormulaC33H38N4O4
Molecular Weight554.69 g/mol
Exact Mass554.29
IUPAC NameN-benzyl-N-[2-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]anilino]-2-oxoethyl]cyclopentanecarboxamide
SMILESCOc1ccc(C(=O)N2CCN(c3ccc(NC(=O)CN(Cc4ccccc4)C(=O)C4CCCC4)cc3)CC2)cc1
InChIInChI=1S/C33H38N4O4/c1-41-30-17-11-27(12-18-30)32(39)36-21-19-35(20-22-36)29-15-13-28(14-16-29)34-31(38)24-37(23-25-7-3-2-4-8-25)33(40)26-9-5-6-10-26/h2-4,7-8,11-18,26H,5-6,9-10,19-24H2,1H3,(H,34,38)
InChIKeyGFZHASMNEMESHN-UHFFFAOYSA-N
XLogP4.82
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.69
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-[2-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]anilino]-2-oxoethyl]cyclopropanecarboxamide
CID 42676212
N-[2-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]anilino]-2-oxoethyl]-N-(2-methoxyethyl)cyclopentanecarboxamide
CID 42676144
N-[2-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]anilino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide
CID 42676178
N-benzyl-N-[2-[4-[4-(3-fluorobenzoyl)piperazin-1-yl]anilino]-2-oxoethyl]cyclobutanecarboxamide
CID 42676473
N-[2-[4-[4-(3-fluorobenzoyl)piperazin-1-yl]anilino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]cyclopentanecarboxamide
CID 42676526
4-[4-[[2-[benzyl-(4-fluorobenzoyl)amino]acetyl]amino]phenyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 42675064
2-[(4-fluorophenyl)methyl-(2-methoxyacetyl)amino]-N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]acetamide
CID 42676217
N-[(4-fluorophenyl)methyl]-4-methoxy-N-[2-[4-[4-(4-methylbenzoyl)piperazin-1-yl]anilino]-2-oxoethyl]benzamide
CID 42676324
4-methoxy-N-[2-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]anilino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 42676137
2-[benzyl(ethylcarbamoyl)amino]-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]acetamide
CID 42676767
4-[4-[[2-[benzyl(cyclopropanecarbonyl)amino]acetyl]amino]phenyl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 42676628
4-[4-[[2-[cyclopentanecarbonyl-[(4-fluorophenyl)methyl]amino]acetyl]amino]phenyl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 42677240

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]anilino]-2-oxoethyl]cyclopentanecarboxamide?
The IUPAC name of N-benzyl-N-[2-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]anilino]-2-oxoethyl]cyclopentanecarboxamide (CID 42676161) is N-benzyl-N-[2-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]anilino]-2-oxoethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-benzyl-N-[2-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]anilino]-2-oxoethyl]cyclopentanecarboxamide?
The canonical SMILES for N-benzyl-N-[2-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]anilino]-2-oxoethyl]cyclopentanecarboxamide is COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)CN(Cc4ccccc4)C(=O)C4CCCC4)cc3)CC2)cc1.
What is the InChIKey of N-benzyl-N-[2-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]anilino]-2-oxoethyl]cyclopentanecarboxamide?
The InChIKey is GFZHASMNEMESHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N4O4/c1-41-30-17-11-27(12-18-30)32(39)36-21-19-35(20-22-36)29-15-13-28(14-16-29)34-31(38)24-37(23-25-7-3-2-4-8-25)33(40)26-9-5-6-10-26/h2-4,7-8,11-18,26H,5-6,9-10,19-24H2,1H3,(H,34,38).
What are the key properties of N-benzyl-N-[2-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]anilino]-2-oxoethyl]cyclopentanecarboxamide?
N-benzyl-N-[2-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]anilino]-2-oxoethyl]cyclopentanecarboxamide has a molecular weight of 554.69 g/mol, XLogP of 4.82, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]anilino]-2-oxoethyl]cyclopentanecarboxamide is sourced from PubChem (CID 42676161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).