1-(4-methylpiperazin-1-yl)-3-[4-(4-methylpiperazin-1-yl)anilino]propan-1-one

C19H31N5O — CID 109017319

IUPAC1-(4-methylpiperazin-1-yl)-3-[4-(4-methylpiperazin-1-yl)anilino]propan-1-one
SMILESCN1CCN(C(=O)CCNc2ccc(N3CCN(C)CC3)cc2)CC1
InChIInChI=1S/C19H31N5O/c1-21-9-13-23(14-10-21)18-5-3-17(4-6-18)20-8-7-19(25)24-15-11-22(2)12-16-24/h3-6,20H,7-16H2,1-2H3
InChIKeyUXYRAXOBHAULJS-UHFFFAOYSA-N
MW345.49 g/mol
LogP1.01
Rot. Bonds5

About 1-(4-methylpiperazin-1-yl)-3-[4-(4-methylpiperazin-1-yl)anilino]propan-1-one

1-(4-methylpiperazin-1-yl)-3-[4-(4-methylpiperazin-1-yl)anilino]propan-1-one (PubChem CID 109017319) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-3-[4-(4-methylpiperazin-1-yl)anilino]propan-1-one.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-3-[4-(4-methylpiperazin-1-yl)anilino]propan-1-one
PubChem CID109017319
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name1-(4-methylpiperazin-1-yl)-3-[4-(4-methylpiperazin-1-yl)anilino]propan-1-one
SMILESCN1CCN(C(=O)CCNc2ccc(N3CCN(C)CC3)cc2)CC1
InChIInChI=1S/C19H31N5O/c1-21-9-13-23(14-10-21)18-5-3-17(4-6-18)20-8-7-19(25)24-15-11-22(2)12-16-24/h3-6,20H,7-16H2,1-2H3
InChIKeyUXYRAXOBHAULJS-UHFFFAOYSA-N
XLogP1.01
TPSA42.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-acetylanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109027275
N-tert-butyl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109031383
3-(4-acetamidoanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 109041251
3-[4-(4-methylpiperazin-1-yl)anilino]-N-propan-2-ylpropanamide
CID 109011692
3-[4-(4-methylpiperidin-1-yl)anilino]-1-pyrrolidin-1-ylpropan-1-one
CID 109013371
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-propan-2-ylanilino)propan-1-one
CID 109033692
N-butan-2-yl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109013029
N-[3-(dimethylamino)propyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109016992
N-cyclopentyl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109013548
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one
CID 110853267
N-[(2-methylphenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109019204
3-(3-chloro-4-fluoroanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109027256

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-3-[4-(4-methylpiperazin-1-yl)anilino]propan-1-one?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-3-[4-(4-methylpiperazin-1-yl)anilino]propan-1-one (CID 109017319) is 1-(4-methylpiperazin-1-yl)-3-[4-(4-methylpiperazin-1-yl)anilino]propan-1-one.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-3-[4-(4-methylpiperazin-1-yl)anilino]propan-1-one?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-3-[4-(4-methylpiperazin-1-yl)anilino]propan-1-one is CN1CCN(C(=O)CCNc2ccc(N3CCN(C)CC3)cc2)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-3-[4-(4-methylpiperazin-1-yl)anilino]propan-1-one?
The InChIKey is UXYRAXOBHAULJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-21-9-13-23(14-10-21)18-5-3-17(4-6-18)20-8-7-19(25)24-15-11-22(2)12-16-24/h3-6,20H,7-16H2,1-2H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-3-[4-(4-methylpiperazin-1-yl)anilino]propan-1-one?
1-(4-methylpiperazin-1-yl)-3-[4-(4-methylpiperazin-1-yl)anilino]propan-1-one has a molecular weight of 345.49 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-3-[4-(4-methylpiperazin-1-yl)anilino]propan-1-one is sourced from PubChem (CID 109017319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).