N-[2-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]anilino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide

C29H38N4O4 — CID 42676178

IUPACN-[2-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]anilino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide
SMILESCOc1ccc(C(=O)N2CCN(c3ccc(NC(=O)CN(C(=O)C4CCCC4)C(C)C)cc3)CC2)cc1
InChIInChI=1S/C29H38N4O4/c1-21(2)33(29(36)22-6-4-5-7-22)20-27(34)30-24-10-12-25(13-11-24)31-16-18-32(19-17-31)28(35)23-8-14-26(37-3)15-9-23/h8-15,21-22H,4-7,16-20H2,1-3H3,(H,30,34)
InChIKeyCSWSIHIGSLGFGG-UHFFFAOYSA-N
MW506.65 g/mol
LogP4.02
Rot. Bonds8

About N-[2-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]anilino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide

N-[2-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]anilino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide (PubChem CID 42676178) has the molecular formula C29H38N4O4 and a molecular weight of 506.65 g/mol. Its IUPAC name is N-[2-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]anilino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]anilino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide
PubChem CID42676178
Molecular FormulaC29H38N4O4
Molecular Weight506.65 g/mol
Exact Mass506.29
IUPAC NameN-[2-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]anilino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide
SMILESCOc1ccc(C(=O)N2CCN(c3ccc(NC(=O)CN(C(=O)C4CCCC4)C(C)C)cc3)CC2)cc1
InChIInChI=1S/C29H38N4O4/c1-21(2)33(29(36)22-6-4-5-7-22)20-27(34)30-24-10-12-25(13-11-24)31-16-18-32(19-17-31)28(35)23-8-14-26(37-3)15-9-23/h8-15,21-22H,4-7,16-20H2,1-3H3,(H,30,34)
InChIKeyCSWSIHIGSLGFGG-UHFFFAOYSA-N
XLogP4.02
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.65
LogP ≤ 54.02
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

2-[acetyl(propan-2-yl)amino]-N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]acetamide
CID 83279258
N-[2-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]anilino]-2-oxoethyl]-N-(2-methoxyethyl)cyclopentanecarboxamide
CID 42676144
N-benzyl-N-[2-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]anilino]-2-oxoethyl]cyclopentanecarboxamide
CID 42676161
N-[2-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]anilino]-2-oxoethyl]-N-propan-2-ylcyclobutanecarboxamide
CID 42676390
N-[(4-fluorophenyl)methyl]-N-[2-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]anilino]-2-oxoethyl]cyclopropanecarboxamide
CID 42676212
N-tert-butyl-4-[4-[[2-[(4-methoxybenzoyl)-propan-2-ylamino]acetyl]amino]phenyl]piperazine-1-carboxamide
CID 42677147
4-[4-[[2-[(4-fluorobenzoyl)-propan-2-ylamino]acetyl]amino]phenyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 42675503
N-[2-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]anilino]-2-oxoethyl]-3-methyl-N-propylbutanamide
CID 42676189
4-methoxy-N-[2-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]anilino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 42676137
4-[4-[[2-[tert-butylcarbamoyl(propan-2-yl)amino]acetyl]amino]phenyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 42675547
4-fluoro-N-[2-[4-[4-(4-methylbenzoyl)piperazin-1-yl]anilino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 42676286
4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzamide
CID 109043150

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]anilino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide?
The IUPAC name of N-[2-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]anilino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide (CID 42676178) is N-[2-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]anilino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide.
What is the SMILES notation for N-[2-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]anilino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide?
The canonical SMILES for N-[2-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]anilino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide is COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)CN(C(=O)C4CCCC4)C(C)C)cc3)CC2)cc1.
What is the InChIKey of N-[2-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]anilino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide?
The InChIKey is CSWSIHIGSLGFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N4O4/c1-21(2)33(29(36)22-6-4-5-7-22)20-27(34)30-24-10-12-25(13-11-24)31-16-18-32(19-17-31)28(35)23-8-14-26(37-3)15-9-23/h8-15,21-22H,4-7,16-20H2,1-3H3,(H,30,34).
What are the key properties of N-[2-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]anilino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide?
N-[2-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]anilino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide has a molecular weight of 506.65 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]anilino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide is sourced from PubChem (CID 42676178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).