2-(4-methylpiperidin-1-yl)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide;oxalic acid

C22H31N3O6 — CID 24746961

IUPAC2-(4-methylpiperidin-1-yl)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide;oxalic acid
SMILESCC1CCN(CC(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C20H29N3O2.C2H2O4/c1-16-9-13-22(14-10-16)15-19(24)21-18-7-5-17(6-8-18)20(25)23-11-3-2-4-12-23;3-1(4)2(5)6/h5-8,16H,2-4,9-15H2,1H3,(H,21,24);(H,3,4)(H,5,6)
InChIKeySCZIGWACJLTBLI-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.14
Rot. Bonds4

About 2-(4-methylpiperidin-1-yl)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide;oxalic acid

2-(4-methylpiperidin-1-yl)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide;oxalic acid (PubChem CID 24746961) has the molecular formula C22H31N3O6 and a molecular weight of 433.51 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide;oxalic acid.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide;oxalic acid
PubChem CID24746961
Molecular FormulaC22H31N3O6
Molecular Weight433.51 g/mol
Exact Mass433.22
IUPAC Name2-(4-methylpiperidin-1-yl)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide;oxalic acid
SMILESCC1CCN(CC(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C20H29N3O2.C2H2O4/c1-16-9-13-22(14-10-16)15-19(24)21-18-7-5-17(6-8-18)20(25)23-11-3-2-4-12-23;3-1(4)2(5)6/h5-8,16H,2-4,9-15H2,1H3,(H,21,24);(H,3,4)(H,5,6)
InChIKeySCZIGWACJLTBLI-UHFFFAOYSA-N
XLogP2.14
TPSA127.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylpiperidin-1-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54816946
2-(4-methylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 8543875
N-[4-(azepan-1-yl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 1460513
N-(4-acetamidophenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 2697828
2-[3-(azepane-1-carbonyl)anilino]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54841463
2-[cyclohexyl(methyl)amino]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54817465
[4-(4-methylpiperidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109044208
3-[[4-[[2-(4-methylpiperidin-1-yl)acetyl]amino]benzoyl]amino]propanoic acid
CID 39182729
2-[4-(4-methylpiperidine-1-carbonyl)anilino]-1-piperidin-1-ylethanone
CID 54831366
N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54841292
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841357
1-[4-(4-methylpiperidine-1-carbonyl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 60545834

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide;oxalic acid?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide;oxalic acid (CID 24746961) is 2-(4-methylpiperidin-1-yl)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide;oxalic acid.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide;oxalic acid?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide;oxalic acid is CC1CCN(CC(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)CC1.O=C(O)C(=O)O.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide;oxalic acid?
The InChIKey is SCZIGWACJLTBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2.C2H2O4/c1-16-9-13-22(14-10-16)15-19(24)21-18-7-5-17(6-8-18)20(25)23-11-3-2-4-12-23;3-1(4)2(5)6/h5-8,16H,2-4,9-15H2,1H3,(H,21,24);(H,3,4)(H,5,6).
What are the key properties of 2-(4-methylpiperidin-1-yl)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide;oxalic acid?
2-(4-methylpiperidin-1-yl)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide;oxalic acid has a molecular weight of 433.51 g/mol, XLogP of 2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide;oxalic acid is sourced from PubChem (CID 24746961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).