(4-ethylpiperazin-1-yl)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methanone;oxalic acid

C22H33N3O6 — CID 163328426

IUPAC(4-ethylpiperazin-1-yl)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methanone;oxalic acid
SMILESCCN1CCN(C(=O)C2CCN(Cc3ccccc3OC)CC2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C20H31N3O2.C2H2O4/c1-3-21-12-14-23(15-13-21)20(24)17-8-10-22(11-9-17)16-18-6-4-5-7-19(18)25-2;3-1(4)2(5)6/h4-7,17H,3,8-16H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyWLAFDKMNEKKJFZ-UHFFFAOYSA-N
MW435.52 g/mol
LogP1.23
Rot. Bonds5

About (4-ethylpiperazin-1-yl)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methanone;oxalic acid

(4-ethylpiperazin-1-yl)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methanone;oxalic acid (PubChem CID 163328426) has the molecular formula C22H33N3O6 and a molecular weight of 435.52 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methanone;oxalic acid.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methanone;oxalic acid
PubChem CID163328426
Molecular FormulaC22H33N3O6
Molecular Weight435.52 g/mol
Exact Mass435.24
IUPAC Name(4-ethylpiperazin-1-yl)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methanone;oxalic acid
SMILESCCN1CCN(C(=O)C2CCN(Cc3ccccc3OC)CC2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C20H31N3O2.C2H2O4/c1-3-21-12-14-23(15-13-21)20(24)17-8-10-22(11-9-17)16-18-6-4-5-7-19(18)25-2;3-1(4)2(5)6/h4-7,17H,3,8-16H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyWLAFDKMNEKKJFZ-UHFFFAOYSA-N
XLogP1.23
TPSA110.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (4-ethylpiperazin-1-yl)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methanone;oxalic acid with MolForge

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Launch Full Analysis

Related Compounds

ethyl 1-[1-[(2-methoxyphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate;oxalic acid
CID 2903679
cyclopentyl-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110398973
[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 23767133
4-(4-ethylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 109147502
[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone;oxalic acid
CID 2903445
[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone;oxalic acid
CID 123132440
[4-(2-ethoxyphenyl)piperazin-1-yl]-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]methanone;oxalic acid
CID 2903657
[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone;oxalic acid
CID 126469034
(2-hydroxycyclopentyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110014493
(4-ethylpiperazin-1-yl)-[1-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperidin-4-yl]methanone
CID 4567358
(4-ethylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanone
CID 3409585
1-cyclopropyl-4-[4-[(2-methoxyphenyl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 70722242

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methanone;oxalic acid?
The IUPAC name of (4-ethylpiperazin-1-yl)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methanone;oxalic acid (CID 163328426) is (4-ethylpiperazin-1-yl)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methanone;oxalic acid.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methanone;oxalic acid?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methanone;oxalic acid is CCN1CCN(C(=O)C2CCN(Cc3ccccc3OC)CC2)CC1.O=C(O)C(=O)O.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methanone;oxalic acid?
The InChIKey is WLAFDKMNEKKJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2.C2H2O4/c1-3-21-12-14-23(15-13-21)20(24)17-8-10-22(11-9-17)16-18-6-4-5-7-19(18)25-2;3-1(4)2(5)6/h4-7,17H,3,8-16H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of (4-ethylpiperazin-1-yl)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methanone;oxalic acid?
(4-ethylpiperazin-1-yl)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methanone;oxalic acid has a molecular weight of 435.52 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methanone;oxalic acid is sourced from PubChem (CID 163328426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).