ethyl 1-[1-[(2-methoxyphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate;oxalic acid

C24H34N2O8 — CID 2903679

IUPACethyl 1-[1-[(2-methoxyphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate;oxalic acid
SMILESCCOC(=O)C1CCN(C(=O)C2CCN(Cc3ccccc3OC)CC2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C22H32N2O4.C2H2O4/c1-3-28-22(26)18-10-14-24(15-11-18)21(25)17-8-12-23(13-9-17)16-19-6-4-5-7-20(19)27-2;3-1(4)2(5)6/h4-7,17-18H,3,8-16H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyPMIFCSQAWHEYHX-UHFFFAOYSA-N
MW478.54 g/mol
LogP1.86
Rot. Bonds6

About ethyl 1-[1-[(2-methoxyphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate;oxalic acid

ethyl 1-[1-[(2-methoxyphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate;oxalic acid (PubChem CID 2903679) has the molecular formula C24H34N2O8 and a molecular weight of 478.54 g/mol. Its IUPAC name is ethyl 1-[1-[(2-methoxyphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate;oxalic acid.

Molecular Properties

Compound Nameethyl 1-[1-[(2-methoxyphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate;oxalic acid
PubChem CID2903679
Molecular FormulaC24H34N2O8
Molecular Weight478.54 g/mol
Exact Mass478.23
IUPAC Nameethyl 1-[1-[(2-methoxyphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate;oxalic acid
SMILESCCOC(=O)C1CCN(C(=O)C2CCN(Cc3ccccc3OC)CC2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C22H32N2O4.C2H2O4/c1-3-28-22(26)18-10-14-24(15-11-18)21(25)17-8-12-23(13-9-17)16-19-6-4-5-7-20(19)27-2;3-1(4)2(5)6/h4-7,17-18H,3,8-16H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyPMIFCSQAWHEYHX-UHFFFAOYSA-N
XLogP1.86
TPSA133.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.54
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(4-ethylpiperazin-1-yl)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methanone;oxalic acid
CID 163328426
ethyl 1-[1-[(2-hydroxyphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate
CID 4223675
cyclopentyl-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110398973
[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone;oxalic acid
CID 123132440
ethyl 1-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboxylate
CID 60670285
[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone;oxalic acid
CID 2903445
ethyl 1-[1-[(4-ethylphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate
CID 1080789
methyl 1-[(2-ethoxyphenyl)methyl]piperidine-4-carboxylate
CID 60670101
[4-(2-ethoxyphenyl)piperazin-1-yl]-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]methanone;oxalic acid
CID 2903657
[4-(2-ethoxyphenyl)piperazin-1-yl]-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methanone;oxalic acid
CID 2903659
4-chloro-1-[(2-methoxyphenyl)methyl]piperidine
CID 63389508
ethyl 1-[1-[(3-chlorophenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate
CID 25249218

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[1-[(2-methoxyphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate;oxalic acid?
The IUPAC name of ethyl 1-[1-[(2-methoxyphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate;oxalic acid (CID 2903679) is ethyl 1-[1-[(2-methoxyphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate;oxalic acid.
What is the SMILES notation for ethyl 1-[1-[(2-methoxyphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate;oxalic acid?
The canonical SMILES for ethyl 1-[1-[(2-methoxyphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate;oxalic acid is CCOC(=O)C1CCN(C(=O)C2CCN(Cc3ccccc3OC)CC2)CC1.O=C(O)C(=O)O.
What is the InChIKey of ethyl 1-[1-[(2-methoxyphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate;oxalic acid?
The InChIKey is PMIFCSQAWHEYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O4.C2H2O4/c1-3-28-22(26)18-10-14-24(15-11-18)21(25)17-8-12-23(13-9-17)16-19-6-4-5-7-20(19)27-2;3-1(4)2(5)6/h4-7,17-18H,3,8-16H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of ethyl 1-[1-[(2-methoxyphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate;oxalic acid?
ethyl 1-[1-[(2-methoxyphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate;oxalic acid has a molecular weight of 478.54 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[1-[(2-methoxyphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate;oxalic acid is sourced from PubChem (CID 2903679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).