N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-methylbenzamide

C17H25N3O2 — CID 17191483

IUPACN-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-methylbenzamide
SMILESCCN1CCN(C(=O)CCNC(=O)c2cccc(C)c2)CC1
InChIInChI=1S/C17H25N3O2/c1-3-19-9-11-20(12-10-19)16(21)7-8-18-17(22)15-6-4-5-14(2)13-15/h4-6,13H,3,7-12H2,1-2H3,(H,18,22)
InChIKeyOTRLTFVMEWBIKY-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.28
Rot. Bonds5

About N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-methylbenzamide

N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-methylbenzamide (PubChem CID 17191483) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-methylbenzamide
PubChem CID17191483
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-methylbenzamide
SMILESCCN1CCN(C(=O)CCNC(=O)c2cccc(C)c2)CC1
InChIInChI=1S/C17H25N3O2/c1-3-19-9-11-20(12-10-19)16(21)7-8-18-17(22)15-6-4-5-14(2)13-15/h4-6,13H,3,7-12H2,1-2H3,(H,18,22)
InChIKeyOTRLTFVMEWBIKY-UHFFFAOYSA-N
XLogP1.28
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 28709214
4-bromo-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]benzamide
CID 7964467
3-methyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzamide
CID 17018957
N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-3-methylbenzamide
CID 18108357
ethane;(4-ethylpiperazin-1-yl)-(3-methylphenyl)methanone
CID 143519775
3-methyl-N-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propyl]benzamide
CID 26870185
ethyl (3S)-1-[3-[(3-methylbenzoyl)amino]propanoyl]piperidine-3-carboxylate
CID 30283843
3-amino-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzamide
CID 119849558
3-(2,6-dimethylanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 109017526
4-(3,4-dimethylphenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-oxobutanamide
CID 110626293
3-methyl-N-(2-piperidin-1-ylethyl)benzamide;hydrochloride
CID 126477808
3-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 11543475

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-methylbenzamide?
The IUPAC name of N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-methylbenzamide (CID 17191483) is N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-methylbenzamide.
What is the SMILES notation for N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-methylbenzamide?
The canonical SMILES for N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-methylbenzamide is CCN1CCN(C(=O)CCNC(=O)c2cccc(C)c2)CC1.
What is the InChIKey of N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-methylbenzamide?
The InChIKey is OTRLTFVMEWBIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-3-19-9-11-20(12-10-19)16(21)7-8-18-17(22)15-6-4-5-14(2)13-15/h4-6,13H,3,7-12H2,1-2H3,(H,18,22).
What are the key properties of N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-methylbenzamide?
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-methylbenzamide has a molecular weight of 303.41 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-methylbenzamide is sourced from PubChem (CID 17191483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).