2-[4-(4-methylpiperazin-1-yl)anilino]-1-(3-methylpiperidin-1-yl)ethanone

C19H30N4O — CID 109006563

IUPAC2-[4-(4-methylpiperazin-1-yl)anilino]-1-(3-methylpiperidin-1-yl)ethanone
SMILESCC1CCCN(C(=O)CNc2ccc(N3CCN(C)CC3)cc2)C1
InChIInChI=1S/C19H30N4O/c1-16-4-3-9-23(15-16)19(24)14-20-17-5-7-18(8-6-17)22-12-10-21(2)11-13-22/h5-8,16,20H,3-4,9-15H2,1-2H3
InChIKeyBDWXKCPMNKUPPP-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.11
Rot. Bonds4

About 2-[4-(4-methylpiperazin-1-yl)anilino]-1-(3-methylpiperidin-1-yl)ethanone

2-[4-(4-methylpiperazin-1-yl)anilino]-1-(3-methylpiperidin-1-yl)ethanone (PubChem CID 109006563) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is 2-[4-(4-methylpiperazin-1-yl)anilino]-1-(3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(4-methylpiperazin-1-yl)anilino]-1-(3-methylpiperidin-1-yl)ethanone
PubChem CID109006563
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name2-[4-(4-methylpiperazin-1-yl)anilino]-1-(3-methylpiperidin-1-yl)ethanone
SMILESCC1CCCN(C(=O)CNc2ccc(N3CCN(C)CC3)cc2)C1
InChIInChI=1S/C19H30N4O/c1-16-4-3-9-23(15-16)19(24)14-20-17-5-7-18(8-6-17)22-12-10-21(2)11-13-22/h5-8,16,20H,3-4,9-15H2,1-2H3
InChIKeyBDWXKCPMNKUPPP-UHFFFAOYSA-N
XLogP2.11
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-[4-(4-methylpiperazin-1-yl)anilino]-1-(3-methylpiperidin-1-yl)ethanone 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

4-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]benzamide
CID 47123026
N-[4-(4-methylpiperazin-1-yl)phenyl]-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113177407
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 109006520
2-(4-bromo-3-methylanilino)-1-(3-methylpiperidin-1-yl)ethanone
CID 109006570
[2-[4-(4-methylpiperazin-1-yl)anilino]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109175747
2-(3,5-dimethoxyanilino)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 51726355
1-(4-methylpiperazin-1-yl)-3-[4-(4-methylpiperazin-1-yl)anilino]propan-1-one
CID 109017319
3-[4-(4-methylpiperazin-1-yl)anilino]-N-propan-2-ylpropanamide
CID 109011692
1-(3-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)anilino]ethanone
CID 109006549
2-[2-(4-hydroxypiperidin-1-yl)anilino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 94631571
2-(2-iodoanilino)-1-(3-methylpiperidin-1-yl)ethanone
CID 55434759
3-[4-(4-methylpiperidin-1-yl)anilino]-1-pyrrolidin-1-ylpropan-1-one
CID 109013371

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylpiperazin-1-yl)anilino]-1-(3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[4-(4-methylpiperazin-1-yl)anilino]-1-(3-methylpiperidin-1-yl)ethanone (CID 109006563) is 2-[4-(4-methylpiperazin-1-yl)anilino]-1-(3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(4-methylpiperazin-1-yl)anilino]-1-(3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[4-(4-methylpiperazin-1-yl)anilino]-1-(3-methylpiperidin-1-yl)ethanone is CC1CCCN(C(=O)CNc2ccc(N3CCN(C)CC3)cc2)C1.
What is the InChIKey of 2-[4-(4-methylpiperazin-1-yl)anilino]-1-(3-methylpiperidin-1-yl)ethanone?
The InChIKey is BDWXKCPMNKUPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-16-4-3-9-23(15-16)19(24)14-20-17-5-7-18(8-6-17)22-12-10-21(2)11-13-22/h5-8,16,20H,3-4,9-15H2,1-2H3.
What are the key properties of 2-[4-(4-methylpiperazin-1-yl)anilino]-1-(3-methylpiperidin-1-yl)ethanone?
2-[4-(4-methylpiperazin-1-yl)anilino]-1-(3-methylpiperidin-1-yl)ethanone has a molecular weight of 330.48 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylpiperazin-1-yl)anilino]-1-(3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 109006563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).