3-amino-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzamide

C15H22N4O2 — CID 119849558

IUPAC3-amino-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzamide
SMILESCN1CCN(C(=O)CCNC(=O)c2cccc(N)c2)CC1
InChIInChI=1S/C15H22N4O2/c1-18-7-9-19(10-8-18)14(20)5-6-17-15(21)12-3-2-4-13(16)11-12/h2-4,11H,5-10,16H2,1H3,(H,17,21)
InChIKeyYQCNNPIEZFPJTK-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.16
Rot. Bonds4

About 3-amino-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzamide

3-amino-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzamide (PubChem CID 119849558) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-amino-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name3-amino-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzamide
PubChem CID119849558
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name3-amino-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzamide
SMILESCN1CCN(C(=O)CCNC(=O)c2cccc(N)c2)CC1
InChIInChI=1S/C15H22N4O2/c1-18-7-9-19(10-8-18)14(20)5-6-17-15(21)12-3-2-4-13(16)11-12/h2-4,11H,5-10,16H2,1H3,(H,17,21)
InChIKeyYQCNNPIEZFPJTK-UHFFFAOYSA-N
XLogP0.16
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 54861059
4-tert-butyl-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzamide
CID 7964230
2-(4-aminophenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 119849520
3-(4-methylpiperazine-1-carbonyl)-N-propylbenzamide
CID 109050294
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-methylbenzamide
CID 17191483
(3-aminophenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 19842351
3-amino-N-(2-pyrrolidin-1-ylethyl)benzamide;dihydrochloride
CID 119834336
3-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 28709214
3-amino-N-[3-(dimethylamino)-3-oxopropyl]benzamide
CID 54937953
3-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 61241803
N-(2-acetamidoethyl)-3-aminobenzamide;hydrochloride
CID 119684027
N-(3-methylbutyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053540

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzamide?
The IUPAC name of 3-amino-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzamide (CID 119849558) is 3-amino-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzamide.
What is the SMILES notation for 3-amino-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzamide?
The canonical SMILES for 3-amino-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzamide is CN1CCN(C(=O)CCNC(=O)c2cccc(N)c2)CC1.
What is the InChIKey of 3-amino-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzamide?
The InChIKey is YQCNNPIEZFPJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-18-7-9-19(10-8-18)14(20)5-6-17-15(21)12-3-2-4-13(16)11-12/h2-4,11H,5-10,16H2,1H3,(H,17,21).
What are the key properties of 3-amino-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzamide?
3-amino-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzamide has a molecular weight of 290.37 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzamide is sourced from PubChem (CID 119849558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).