N-ethyl-2-(4-methylpiperazin-1-yl)-N-naphthalen-1-ylacetamide;oxalic acid

C21H27N3O5 — CID 2997602

IUPACN-ethyl-2-(4-methylpiperazin-1-yl)-N-naphthalen-1-ylacetamide;oxalic acid
SMILESCCN(C(=O)CN1CCN(C)CC1)c1cccc2ccccc12.O=C(O)C(=O)O
InChIInChI=1S/C19H25N3O.C2H2O4/c1-3-22(19(23)15-21-13-11-20(2)12-14-21)18-10-6-8-16-7-4-5-9-17(16)18;3-1(4)2(5)6/h4-10H,3,11-15H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyMPFONNVISAKUOO-UHFFFAOYSA-N
MW401.46 g/mol
LogP1.60
Rot. Bonds4

About N-ethyl-2-(4-methylpiperazin-1-yl)-N-naphthalen-1-ylacetamide;oxalic acid

N-ethyl-2-(4-methylpiperazin-1-yl)-N-naphthalen-1-ylacetamide;oxalic acid (PubChem CID 2997602) has the molecular formula C21H27N3O5 and a molecular weight of 401.46 g/mol. Its IUPAC name is N-ethyl-2-(4-methylpiperazin-1-yl)-N-naphthalen-1-ylacetamide;oxalic acid.

Molecular Properties

Compound NameN-ethyl-2-(4-methylpiperazin-1-yl)-N-naphthalen-1-ylacetamide;oxalic acid
PubChem CID2997602
Molecular FormulaC21H27N3O5
Molecular Weight401.46 g/mol
Exact Mass401.20
IUPAC NameN-ethyl-2-(4-methylpiperazin-1-yl)-N-naphthalen-1-ylacetamide;oxalic acid
SMILESCCN(C(=O)CN1CCN(C)CC1)c1cccc2ccccc12.O=C(O)C(=O)O
InChIInChI=1S/C19H25N3O.C2H2O4/c1-3-22(19(23)15-21-13-11-20(2)12-14-21)18-10-6-8-16-7-4-5-9-17(16)18;3-1(4)2(5)6/h4-10H,3,11-15H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyMPFONNVISAKUOO-UHFFFAOYSA-N
XLogP1.60
TPSA101.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-Azepan-1-yl-phenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-acetamide
CID 645470
N-(3-methylphenyl)-2-(4-naphthalen-1-ylpiperazin-1-yl)acetamide
CID 155536720
2-(4-methylpiperazin-1-yl)-N-(naphthalen-1-yl)acetamide
CID 384500
5-[(3,5-dimethyl-1-piperidinyl)acetyl]-10,11-dihydro-5H-dibenzo[b,f]azepine oxalate
CID 2982433
2-(4-Ethyl-piperazin-1-yl)-1-(2-methyl-2,3-dihydro-indol-1-yl)-ethanone
CID 2989685
N-Biphenyl-2-yl-2-(4-methyl-piperidin-1-yl)-propionamide
CID 9549408
oxalic acid;2-(pentan-2-ylamino)-N-(2-phenylphenyl)acetamide
CID 11834471
2-(3,4-Dihydro-1H-isoquinolin-2-yl)-N-(2-trifluoromethyl-phenyl)-acetamide
CID 24746935
4-Benzyl-1-(2,4-dimethyl-phenyl)-piperazin-2-one
CID 24746950
2-(4-Methyl-piperazin-1-yl)-N-o-tolyl-acetamide
CID 24761071
2-(4-Benzylpiperazin-1-yl)-1-(2-methylindolin-1-yl)ethanone oxalate
CID 24761174
1-(4-Benzylnaphthalen-1-yl)piperazine;oxalic acid
CID 44390022

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-methylpiperazin-1-yl)-N-naphthalen-1-ylacetamide;oxalic acid?
The IUPAC name of N-ethyl-2-(4-methylpiperazin-1-yl)-N-naphthalen-1-ylacetamide;oxalic acid (CID 2997602) is N-ethyl-2-(4-methylpiperazin-1-yl)-N-naphthalen-1-ylacetamide;oxalic acid.
What is the SMILES notation for N-ethyl-2-(4-methylpiperazin-1-yl)-N-naphthalen-1-ylacetamide;oxalic acid?
The canonical SMILES for N-ethyl-2-(4-methylpiperazin-1-yl)-N-naphthalen-1-ylacetamide;oxalic acid is CCN(C(=O)CN1CCN(C)CC1)c1cccc2ccccc12.O=C(O)C(=O)O.
What is the InChIKey of N-ethyl-2-(4-methylpiperazin-1-yl)-N-naphthalen-1-ylacetamide;oxalic acid?
The InChIKey is MPFONNVISAKUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O.C2H2O4/c1-3-22(19(23)15-21-13-11-20(2)12-14-21)18-10-6-8-16-7-4-5-9-17(16)18;3-1(4)2(5)6/h4-10H,3,11-15H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of N-ethyl-2-(4-methylpiperazin-1-yl)-N-naphthalen-1-ylacetamide;oxalic acid?
N-ethyl-2-(4-methylpiperazin-1-yl)-N-naphthalen-1-ylacetamide;oxalic acid has a molecular weight of 401.46 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-methylpiperazin-1-yl)-N-naphthalen-1-ylacetamide;oxalic acid is sourced from PubChem (CID 2997602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).