2-(4-aminophenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide

C16H24N4O2 — CID 119849520

IUPAC2-(4-aminophenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
SMILESCN1CCN(C(=O)CCNC(=O)Cc2ccc(N)cc2)CC1
InChIInChI=1S/C16H24N4O2/c1-19-8-10-20(11-9-19)16(22)6-7-18-15(21)12-13-2-4-14(17)5-3-13/h2-5H,6-12,17H2,1H3,(H,18,21)
InChIKeyGVTXTFUKEKJWFA-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.09
Rot. Bonds5

About 2-(4-aminophenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide

2-(4-aminophenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide (PubChem CID 119849520) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
PubChem CID119849520
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name2-(4-aminophenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
SMILESCN1CCN(C(=O)CCNC(=O)Cc2ccc(N)cc2)CC1
InChIInChI=1S/C16H24N4O2/c1-19-8-10-20(11-9-19)16(22)6-7-18-15(21)12-13-2-4-14(17)5-3-13/h2-5H,6-12,17H2,1H3,(H,18,21)
InChIKeyGVTXTFUKEKJWFA-UHFFFAOYSA-N
XLogP0.09
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.09
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

Procainamide
CID 4913
Procainamide Hydrochloride
CID 66068
3-(4-Aminophenyl)-1-(1-pyrrolidinyl)-1-propanone
CID 847784
(2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1-yl)phenyl]phenyl}pentanamide
CID 9908450
N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1-yl)phenyl]phenyl}pentanamide
CID 10200425
(2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(4-methylpiperazin-1-yl)phenyl]phenyl}pentanamide
CID 10862359
N-(cyanomethyl)-3-cyclopropyl-2-{3-[4-(4-methylpiperazin-1-yl)phenyl]phenyl}propanamide
CID 10905508
(4S)-N-(cyanomethyl)-4-methyl-2-{3-[4-(4-methylpiperazin-1-yl)phenyl]phenyl}hexanamide
CID 10938664
N-(cyanomethyl)-2-{3-[4-(4-methylpiperazin-1-yl)phenyl]phenyl}pentanamide
CID 10971179
N-(cyanomethyl)-4-methyl-2-{3-[4-(4-methylpiperazin-1-yl)phenyl]phenyl}pentanamide
CID 11811557
2-(4-Amino-phenyl)-N-methyl-N-((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-acetamide
CID 9997232
2-[4-(Dimethylamino)phenyl]-1-(4-pentan-3-ylpiperazin-1-yl)ethanone;dihydrochloride
CID 18456396

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide (CID 119849520) is 2-(4-aminophenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide is CN1CCN(C(=O)CCNC(=O)Cc2ccc(N)cc2)CC1.
What is the InChIKey of 2-(4-aminophenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide?
The InChIKey is GVTXTFUKEKJWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-19-8-10-20(11-9-19)16(22)6-7-18-15(21)12-13-2-4-14(17)5-3-13/h2-5H,6-12,17H2,1H3,(H,18,21).
What are the key properties of 2-(4-aminophenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide?
2-(4-aminophenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide has a molecular weight of 304.39 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide is sourced from PubChem (CID 119849520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).