oxalic acid;N-[4-[4-(4-pyridin-2-ylpiperazin-1-yl)butanoyl]phenyl]acetamide

C23H28N4O6 — CID 164628176

IUPACoxalic acid;N-[4-[4-(4-pyridin-2-ylpiperazin-1-yl)butanoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)CCCN2CCN(c3ccccn3)CC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C21H26N4O2.C2H2O4/c1-17(26)23-19-9-7-18(8-10-19)20(27)5-4-12-24-13-15-25(16-14-24)21-6-2-3-11-22-21;3-1(4)2(5)6/h2-3,6-11H,4-5,12-16H2,1H3,(H,23,26);(H,3,4)(H,5,6)
InChIKeyLIMCWIAJWFVKMM-UHFFFAOYSA-N
MW456.50 g/mol
LogP1.98
Rot. Bonds7

About oxalic acid;N-[4-[4-(4-pyridin-2-ylpiperazin-1-yl)butanoyl]phenyl]acetamide

oxalic acid;N-[4-[4-(4-pyridin-2-ylpiperazin-1-yl)butanoyl]phenyl]acetamide (PubChem CID 164628176) has the molecular formula C23H28N4O6 and a molecular weight of 456.50 g/mol. Its IUPAC name is oxalic acid;N-[4-[4-(4-pyridin-2-ylpiperazin-1-yl)butanoyl]phenyl]acetamide.

Molecular Properties

Compound Nameoxalic acid;N-[4-[4-(4-pyridin-2-ylpiperazin-1-yl)butanoyl]phenyl]acetamide
PubChem CID164628176
Molecular FormulaC23H28N4O6
Molecular Weight456.50 g/mol
Exact Mass456.20
IUPAC Nameoxalic acid;N-[4-[4-(4-pyridin-2-ylpiperazin-1-yl)butanoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)CCCN2CCN(c3ccccn3)CC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C21H26N4O2.C2H2O4/c1-17(26)23-19-9-7-18(8-10-19)20(27)5-4-12-24-13-15-25(16-14-24)21-6-2-3-11-22-21;3-1(4)2(5)6/h2-3,6-11H,4-5,12-16H2,1H3,(H,23,26);(H,3,4)(H,5,6)
InChIKeyLIMCWIAJWFVKMM-UHFFFAOYSA-N
XLogP1.98
TPSA140.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 68740274
N-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]acetamide
CID 18166383
N-(4-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 109030344
N-[4-(dimethylamino)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 6259677
1-(2-hydroxyphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)hexan-1-one
CID 11131952
1-(5-chloropentyl)-4-pyridin-2-ylpiperazine
CID 61288750
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 109004730
3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
CID 11971564
N-[4-[1-methyl-2,5-dioxo-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrol-3-yl]phenyl]acetamide
CID 110562700
methyl 2-methyl-2-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)pentanoate
CID 15515472
4-acetamido-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide
CID 47031694
7-(4-pyridin-2-ylpiperazin-1-yl)heptan-1-amine
CID 28598378

Frequently Asked Questions

What is the IUPAC name of oxalic acid;N-[4-[4-(4-pyridin-2-ylpiperazin-1-yl)butanoyl]phenyl]acetamide?
The IUPAC name of oxalic acid;N-[4-[4-(4-pyridin-2-ylpiperazin-1-yl)butanoyl]phenyl]acetamide (CID 164628176) is oxalic acid;N-[4-[4-(4-pyridin-2-ylpiperazin-1-yl)butanoyl]phenyl]acetamide.
What is the SMILES notation for oxalic acid;N-[4-[4-(4-pyridin-2-ylpiperazin-1-yl)butanoyl]phenyl]acetamide?
The canonical SMILES for oxalic acid;N-[4-[4-(4-pyridin-2-ylpiperazin-1-yl)butanoyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)CCCN2CCN(c3ccccn3)CC2)cc1.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;N-[4-[4-(4-pyridin-2-ylpiperazin-1-yl)butanoyl]phenyl]acetamide?
The InChIKey is LIMCWIAJWFVKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2.C2H2O4/c1-17(26)23-19-9-7-18(8-10-19)20(27)5-4-12-24-13-15-25(16-14-24)21-6-2-3-11-22-21;3-1(4)2(5)6/h2-3,6-11H,4-5,12-16H2,1H3,(H,23,26);(H,3,4)(H,5,6).
What are the key properties of oxalic acid;N-[4-[4-(4-pyridin-2-ylpiperazin-1-yl)butanoyl]phenyl]acetamide?
oxalic acid;N-[4-[4-(4-pyridin-2-ylpiperazin-1-yl)butanoyl]phenyl]acetamide has a molecular weight of 456.50 g/mol, XLogP of 1.98, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;N-[4-[4-(4-pyridin-2-ylpiperazin-1-yl)butanoyl]phenyl]acetamide is sourced from PubChem (CID 164628176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).