2-(4-aminophenyl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetamide

C20H24N4O2 — CID 54795789

IUPAC2-(4-aminophenyl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
SMILESCN1CCN(C(=O)c2ccccc2NC(=O)Cc2ccc(N)cc2)CC1
InChIInChI=1S/C20H24N4O2/c1-23-10-12-24(13-11-23)20(26)17-4-2-3-5-18(17)22-19(25)14-15-6-8-16(21)9-7-15/h2-9H,10-14,21H2,1H3,(H,22,25)
InChIKeyFBLOMIMYKMJBRU-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.84
Rot. Bonds4

About 2-(4-aminophenyl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetamide

2-(4-aminophenyl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetamide (PubChem CID 54795789) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
PubChem CID54795789
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name2-(4-aminophenyl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
SMILESCN1CCN(C(=O)c2ccccc2NC(=O)Cc2ccc(N)cc2)CC1
InChIInChI=1S/C20H24N4O2/c1-23-10-12-24(13-11-23)20(26)17-4-2-3-5-18(17)22-19(25)14-15-6-8-16(21)9-7-15/h2-9H,10-14,21H2,1H3,(H,22,25)
InChIKeyFBLOMIMYKMJBRU-UHFFFAOYSA-N
XLogP1.84
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-aminophenyl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
CID 54795309
2-(4-aminophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54795746
2-(4-aminophenyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 119760315
2-(4-aminophenyl)-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]acetamide
CID 119871528
2-(4-acetamidophenyl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 78806404
2-(4-acetamidophenyl)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 87030997
N-[2-[[2-(4-aminophenyl)acetyl]amino]phenyl]pyrrolidine-1-carboxamide
CID 119736029
3-(4-methoxyphenyl)-N-[2-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]propanamide
CID 60562474
2-(4-aminophenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 16773079
4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]butanamide
CID 2883170
N-[2-(piperidine-1-carbonyl)phenyl]-2-thiophen-3-ylacetamide
CID 17425313
N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 54781982

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetamide (CID 54795789) is 2-(4-aminophenyl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetamide is CN1CCN(C(=O)c2ccccc2NC(=O)Cc2ccc(N)cc2)CC1.
What is the InChIKey of 2-(4-aminophenyl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetamide?
The InChIKey is FBLOMIMYKMJBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-23-10-12-24(13-11-23)20(26)17-4-2-3-5-18(17)22-19(25)14-15-6-8-16(21)9-7-15/h2-9H,10-14,21H2,1H3,(H,22,25).
What are the key properties of 2-(4-aminophenyl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetamide?
2-(4-aminophenyl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetamide has a molecular weight of 352.44 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 54795789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).