4-[[2-formyl-4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenyl]methyl-methylamino]-N-methyl-5-oxopentanamide

C26H41N5O3 — CID 154670775

IUPAC4-[[2-formyl-4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenyl]methyl-methylamino]-N-methyl-5-oxopentanamide
SMILESCNC(=O)CCC(C=O)N(C)Cc1ccc(N2CCN(CCC3CCNCC3)CC2)cc1C=O
InChIInChI=1S/C26H41N5O3/c1-27-26(34)6-5-25(20-33)29(2)18-22-3-4-24(17-23(22)19-32)31-15-13-30(14-16-31)12-9-21-7-10-28-11-8-21/h3-4,17,19-21,25,28H,5-16,18H2,1-2H3,(H,27,34)
InChIKeyGAWALIKXVFIMAV-UHFFFAOYSA-N
MW471.65 g/mol
LogP1.54
Rot. Bonds12

About 4-[[2-formyl-4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenyl]methyl-methylamino]-N-methyl-5-oxopentanamide

4-[[2-formyl-4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenyl]methyl-methylamino]-N-methyl-5-oxopentanamide (PubChem CID 154670775) has the molecular formula C26H41N5O3 and a molecular weight of 471.65 g/mol. Its IUPAC name is 4-[[2-formyl-4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenyl]methyl-methylamino]-N-methyl-5-oxopentanamide.

Molecular Properties

Compound Name4-[[2-formyl-4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenyl]methyl-methylamino]-N-methyl-5-oxopentanamide
PubChem CID154670775
Molecular FormulaC26H41N5O3
Molecular Weight471.65 g/mol
Exact Mass471.32
IUPAC Name4-[[2-formyl-4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenyl]methyl-methylamino]-N-methyl-5-oxopentanamide
SMILESCNC(=O)CCC(C=O)N(C)Cc1ccc(N2CCN(CCC3CCNCC3)CC2)cc1C=O
InChIInChI=1S/C26H41N5O3/c1-27-26(34)6-5-25(20-33)29(2)18-22-3-4-24(17-23(22)19-32)31-15-13-30(14-16-31)12-9-21-7-10-28-11-8-21/h3-4,17,19-21,25,28H,5-16,18H2,1-2H3,(H,27,34)
InChIKeyGAWALIKXVFIMAV-UHFFFAOYSA-N
XLogP1.54
TPSA84.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.65
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-[[5-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethynyl]-2-formylphenyl]methyl-methylamino]-N-methyl-5-oxopentanamide
CID 176700003
4-[[2-formyl-6-[2-(3-piperazin-1-ylpropoxy)ethylsulfanyl]phenyl]methyl-methylamino]-N-methyl-5-oxopentanamide
CID 166921392
2-hydroxy-N-[4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenyl]acetamide
CID 71220306
2-[4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenoxy]propanoic acid
CID 19602969
4-[[2-[8-[4-(4-cyano-2-fluorophenyl)piperazin-1-yl]oct-1-ynyl]-6-formylphenyl]methyl-methylamino]-N-methyl-5-oxopentanamide
CID 167279969
4-[2-[formyl(methyl)amino]-N-methyl-3-(piperidin-4-ylmethoxy)anilino]-N-methyl-5-oxopentanamide
CID 171554747
3-[4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenyl]propanoic acid;dihydrochloride
CID 19602805
4-(dimethylamino)-N-formylpentanamide;4-piperazin-1-ylphthalaldehyde
CID 163267553
3-[4-[3-formyl-4-[methyl-[1-(methylamino)-1,5-dioxopentan-2-yl]carbamoyl]phenyl]piperazin-1-yl]propanoic acid
CID 166831877
1-(3-methylphenyl)-4-(2-piperidin-4-ylethyl)piperazine;dihydrochloride
CID 120663604
2-methyl-2-[4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenoxy]propanoic acid
CID 19602966
4-[4-[4-formyl-3-[[methyl(methylamino)amino]methyl]phenyl]piperazin-1-yl]benzoic acid
CID 171511071

Frequently Asked Questions

What is the IUPAC name of 4-[[2-formyl-4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenyl]methyl-methylamino]-N-methyl-5-oxopentanamide?
The IUPAC name of 4-[[2-formyl-4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenyl]methyl-methylamino]-N-methyl-5-oxopentanamide (CID 154670775) is 4-[[2-formyl-4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenyl]methyl-methylamino]-N-methyl-5-oxopentanamide.
What is the SMILES notation for 4-[[2-formyl-4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenyl]methyl-methylamino]-N-methyl-5-oxopentanamide?
The canonical SMILES for 4-[[2-formyl-4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenyl]methyl-methylamino]-N-methyl-5-oxopentanamide is CNC(=O)CCC(C=O)N(C)Cc1ccc(N2CCN(CCC3CCNCC3)CC2)cc1C=O.
What is the InChIKey of 4-[[2-formyl-4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenyl]methyl-methylamino]-N-methyl-5-oxopentanamide?
The InChIKey is GAWALIKXVFIMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41N5O3/c1-27-26(34)6-5-25(20-33)29(2)18-22-3-4-24(17-23(22)19-32)31-15-13-30(14-16-31)12-9-21-7-10-28-11-8-21/h3-4,17,19-21,25,28H,5-16,18H2,1-2H3,(H,27,34).
What are the key properties of 4-[[2-formyl-4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenyl]methyl-methylamino]-N-methyl-5-oxopentanamide?
4-[[2-formyl-4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenyl]methyl-methylamino]-N-methyl-5-oxopentanamide has a molecular weight of 471.65 g/mol, XLogP of 1.54, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-formyl-4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenyl]methyl-methylamino]-N-methyl-5-oxopentanamide is sourced from PubChem (CID 154670775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).