3-(4-aminophenyl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]propanamide

C21H26N4O2 — CID 54795309

IUPAC3-(4-aminophenyl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
SMILESCN1CCN(C(=O)c2ccccc2NC(=O)CCc2ccc(N)cc2)CC1
InChIInChI=1S/C21H26N4O2/c1-24-12-14-25(15-13-24)21(27)18-4-2-3-5-19(18)23-20(26)11-8-16-6-9-17(22)10-7-16/h2-7,9-10H,8,11-15,22H2,1H3,(H,23,26)
InChIKeyYOOUVRFHKZEYOW-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.23
Rot. Bonds5

About 3-(4-aminophenyl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]propanamide

3-(4-aminophenyl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]propanamide (PubChem CID 54795309) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
PubChem CID54795309
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name3-(4-aminophenyl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
SMILESCN1CCN(C(=O)c2ccccc2NC(=O)CCc2ccc(N)cc2)CC1
InChIInChI=1S/C21H26N4O2/c1-24-12-14-25(15-13-24)21(27)18-4-2-3-5-19(18)23-20(26)11-8-16-6-9-17(22)10-7-16/h2-7,9-10H,8,11-15,22H2,1H3,(H,23,26)
InChIKeyYOOUVRFHKZEYOW-UHFFFAOYSA-N
XLogP2.23
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.23
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

2-(4-aminophenyl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 54795789
3-(4-methoxyphenyl)-N-[2-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]propanamide
CID 60562474
3-(4-ethylphenyl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 41467944
2-(4-aminophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54795746
4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]butanamide
CID 2883170
2-(4-aminophenyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 119760315
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-phenylpropanamide
CID 110602623
3-(4-aminophenyl)-N-(2-methoxyphenyl)propanamide
CID 28713140
3-(2-aminophenyl)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide;hydrochloride
CID 120608564
3-(3-methoxyphenyl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 35279052
N-[2-(pyrrolidine-1-carbonyl)phenyl]pentanamide
CID 30336776
2-[3-(4-hydroxyphenyl)propanoylamino]benzoic acid
CID 10334118

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]propanamide?
The IUPAC name of 3-(4-aminophenyl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]propanamide (CID 54795309) is 3-(4-aminophenyl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]propanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]propanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]propanamide is CN1CCN(C(=O)c2ccccc2NC(=O)CCc2ccc(N)cc2)CC1.
What is the InChIKey of 3-(4-aminophenyl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]propanamide?
The InChIKey is YOOUVRFHKZEYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-24-12-14-25(15-13-24)21(27)18-4-2-3-5-19(18)23-20(26)11-8-16-6-9-17(22)10-7-16/h2-7,9-10H,8,11-15,22H2,1H3,(H,23,26).
What are the key properties of 3-(4-aminophenyl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]propanamide?
3-(4-aminophenyl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]propanamide has a molecular weight of 366.47 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]propanamide is sourced from PubChem (CID 54795309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).