methyl 4-[acetyl-[(2-methoxyphenyl)methoxy]amino]-1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]piperidine-4-carboxylate;oxalic acid

C24H34N6O10 — CID 88677091

IUPACmethyl 4-[acetyl-[(2-methoxyphenyl)methoxy]amino]-1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]piperidine-4-carboxylate;oxalic acid
SMILESCCn1nnn(CCN2CCC(C(=O)OC)(N(OCc3ccccc3OC)C(C)=O)CC2)c1=O.O=C(O)C(=O)O
InChIInChI=1S/C22H32N6O6.C2H2O4/c1-5-26-21(31)27(24-23-26)15-14-25-12-10-22(11-13-25,20(30)33-4)28(17(2)29)34-16-18-8-6-7-9-19(18)32-3;3-1(4)2(5)6/h6-9H,5,10-16H2,1-4H3;(H,3,4)(H,5,6)
InChIKeyFUCWVBVRDGLYSC-UHFFFAOYSA-N
MW566.57 g/mol
LogP-0.39
Rot. Bonds10

About methyl 4-[acetyl-[(2-methoxyphenyl)methoxy]amino]-1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]piperidine-4-carboxylate;oxalic acid

methyl 4-[acetyl-[(2-methoxyphenyl)methoxy]amino]-1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]piperidine-4-carboxylate;oxalic acid (PubChem CID 88677091) has the molecular formula C24H34N6O10 and a molecular weight of 566.57 g/mol. Its IUPAC name is methyl 4-[acetyl-[(2-methoxyphenyl)methoxy]amino]-1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]piperidine-4-carboxylate;oxalic acid.

Molecular Properties

Compound Namemethyl 4-[acetyl-[(2-methoxyphenyl)methoxy]amino]-1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]piperidine-4-carboxylate;oxalic acid
PubChem CID88677091
Molecular FormulaC24H34N6O10
Molecular Weight566.57 g/mol
Exact Mass566.23
IUPAC Namemethyl 4-[acetyl-[(2-methoxyphenyl)methoxy]amino]-1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]piperidine-4-carboxylate;oxalic acid
SMILESCCn1nnn(CCN2CCC(C(=O)OC)(N(OCc3ccccc3OC)C(C)=O)CC2)c1=O.O=C(O)C(=O)O
InChIInChI=1S/C22H32N6O6.C2H2O4/c1-5-26-21(31)27(24-23-26)15-14-25-12-10-22(11-13-25,20(30)33-4)28(17(2)29)34-16-18-8-6-7-9-19(18)32-3;3-1(4)2(5)6/h6-9H,5,10-16H2,1-4H3;(H,3,4)(H,5,6)
InChIKeyFUCWVBVRDGLYSC-UHFFFAOYSA-N
XLogP-0.39
TPSA195.62 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.57
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Related Compounds

bis(methyl 4-[acetyl(phenylmethoxy)amino]-1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]piperidine-4-carboxylate);oxalic acid
CID 173411863
methyl 4-[acetyl-[(2-methoxyphenyl)methoxy]amino]-1-(2-phenylethyl)piperidine-4-carboxylate
CID 23324834
bis(methyl 4-[acetyl-[(2-methoxyphenyl)methoxy]amino]-1-(2-methylpropyl)piperidine-4-carboxylate);oxalic acid
CID 173411924
bis[4-[acetyl-[(2-methoxyphenyl)methoxy]amino]-4-methoxycarbonyl-1-(3-methylbutyl)piperidin-1-ium-1-yl] oxalate
CID 57251439
bis(methyl 4-[acetyl-[(2-methoxyphenyl)methoxy]amino]-1-(2-thiophen-3-ylethyl)piperidin-1-ium-4-carboxylate);oxalate
CID 23324782
bis[4-[acetyl-[(2-methoxyphenyl)methoxy]amino]-4-methoxycarbonyl-1-(2-thiophen-3-ylethyl)piperidin-1-ium-1-yl] oxalate
CID 57005754
N-[1-[2,2-dideuterio-2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-methoxypiperidin-4-yl]-N-phenylpropanamide
CID 44621675
N-[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-methoxypiperidin-4-yl]-N-(2,3,4,5,6-pentadeuteriophenyl)propanamide
CID 44620999
N-[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide;4-methylbenzenesulfonic acid
CID 175045392
N-[(2-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;oxalic acid
CID 17053127
methyl 1-[2-(3-ethyl-2,4-dioxopyrimidin-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 14879904
methyl 1-[2-(6-oxo-5-propan-2-yl-1,2,4-triazin-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 14879907

Frequently Asked Questions

What is the IUPAC name of methyl 4-[acetyl-[(2-methoxyphenyl)methoxy]amino]-1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]piperidine-4-carboxylate;oxalic acid?
The IUPAC name of methyl 4-[acetyl-[(2-methoxyphenyl)methoxy]amino]-1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]piperidine-4-carboxylate;oxalic acid (CID 88677091) is methyl 4-[acetyl-[(2-methoxyphenyl)methoxy]amino]-1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]piperidine-4-carboxylate;oxalic acid.
What is the SMILES notation for methyl 4-[acetyl-[(2-methoxyphenyl)methoxy]amino]-1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]piperidine-4-carboxylate;oxalic acid?
The canonical SMILES for methyl 4-[acetyl-[(2-methoxyphenyl)methoxy]amino]-1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]piperidine-4-carboxylate;oxalic acid is CCn1nnn(CCN2CCC(C(=O)OC)(N(OCc3ccccc3OC)C(C)=O)CC2)c1=O.O=C(O)C(=O)O.
What is the InChIKey of methyl 4-[acetyl-[(2-methoxyphenyl)methoxy]amino]-1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]piperidine-4-carboxylate;oxalic acid?
The InChIKey is FUCWVBVRDGLYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O6.C2H2O4/c1-5-26-21(31)27(24-23-26)15-14-25-12-10-22(11-13-25,20(30)33-4)28(17(2)29)34-16-18-8-6-7-9-19(18)32-3;3-1(4)2(5)6/h6-9H,5,10-16H2,1-4H3;(H,3,4)(H,5,6).
What are the key properties of methyl 4-[acetyl-[(2-methoxyphenyl)methoxy]amino]-1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]piperidine-4-carboxylate;oxalic acid?
methyl 4-[acetyl-[(2-methoxyphenyl)methoxy]amino]-1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]piperidine-4-carboxylate;oxalic acid has a molecular weight of 566.57 g/mol, XLogP of -0.39, 10 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[acetyl-[(2-methoxyphenyl)methoxy]amino]-1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]piperidine-4-carboxylate;oxalic acid is sourced from PubChem (CID 88677091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).