N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]pentanamide

C18H28N4O2 — CID 110601093

IUPACN-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]pentanamide
SMILESCCCCC(=O)NCC(=O)Nc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C18H28N4O2/c1-3-4-5-17(23)19-14-18(24)20-15-6-8-16(9-7-15)22-12-10-21(2)11-13-22/h6-9H,3-5,10-14H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyWHSPDJXLQDBTRY-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.68
Rot. Bonds7

About N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]pentanamide

N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]pentanamide (PubChem CID 110601093) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]pentanamide.

Molecular Properties

Compound NameN-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]pentanamide
PubChem CID110601093
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]pentanamide
SMILESCCCCC(=O)NCC(=O)Nc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C18H28N4O2/c1-3-4-5-17(23)19-14-18(24)20-15-6-8-16(9-7-15)22-12-10-21(2)11-13-22/h6-9H,3-5,10-14H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyWHSPDJXLQDBTRY-UHFFFAOYSA-N
XLogP1.68
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methylphenyl)-N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]propanamide
CID 110615443
N-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]butanamide
CID 113000164
N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]-2-phenylacetamide
CID 110601100
4-amino-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide
CID 22692234
N-(4-morpholin-4-ylphenyl)pentanamide
CID 2765048
2-[butyl(methyl)amino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 109006156
2-hydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 83768240
4-chloro-N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]benzamide
CID 110601103
methyl 4-[[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]amino]benzoate
CID 109010179
2-(3-methylbutylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 109005861
N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]pentanamide
CID 4630313
2-(2-ethylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 109007621

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]pentanamide?
The IUPAC name of N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]pentanamide (CID 110601093) is N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]pentanamide.
What is the SMILES notation for N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]pentanamide?
The canonical SMILES for N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]pentanamide is CCCCC(=O)NCC(=O)Nc1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]pentanamide?
The InChIKey is WHSPDJXLQDBTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-3-4-5-17(23)19-14-18(24)20-15-6-8-16(9-7-15)22-12-10-21(2)11-13-22/h6-9H,3-5,10-14H2,1-2H3,(H,19,23)(H,20,24).
What are the key properties of N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]pentanamide?
N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]pentanamide has a molecular weight of 332.45 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]pentanamide is sourced from PubChem (CID 110601093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).