oxalic acid;N-propan-2-yl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide

C21H32N2O8 — CID 126469036

IUPACoxalic acid;N-propan-2-yl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(CN2CCC(C(=O)NC(C)C)CC2)c(OC)c1OC.O=C(O)C(=O)O
InChIInChI=1S/C19H30N2O4.C2H2O4/c1-13(2)20-19(22)14-8-10-21(11-9-14)12-15-6-7-16(23-3)18(25-5)17(15)24-4;3-1(4)2(5)6/h6-7,13-14H,8-12H2,1-5H3,(H,20,22);(H,3,4)(H,5,6)
InChIKeyYEYVESCFVBEGDH-UHFFFAOYSA-N
MW440.49 g/mol
LogP1.60
Rot. Bonds7

About oxalic acid;N-propan-2-yl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide

oxalic acid;N-propan-2-yl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 126469036) has the molecular formula C21H32N2O8 and a molecular weight of 440.49 g/mol. Its IUPAC name is oxalic acid;N-propan-2-yl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Nameoxalic acid;N-propan-2-yl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID126469036
Molecular FormulaC21H32N2O8
Molecular Weight440.49 g/mol
Exact Mass440.22
IUPAC Nameoxalic acid;N-propan-2-yl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(CN2CCC(C(=O)NC(C)C)CC2)c(OC)c1OC.O=C(O)C(=O)O
InChIInChI=1S/C19H30N2O4.C2H2O4/c1-13(2)20-19(22)14-8-10-21(11-9-14)12-15-6-7-16(23-3)18(25-5)17(15)24-4;3-1(4)2(5)6/h6-7,13-14H,8-12H2,1-5H3,(H,20,22);(H,3,4)(H,5,6)
InChIKeyYEYVESCFVBEGDH-UHFFFAOYSA-N
XLogP1.60
TPSA134.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.49
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

oxalic acid;1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 163326830
1-cyclopentyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine;oxalic acid
CID 17366796
N-(propan-2-ylcarbamoyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9127737
1-(naphthalen-1-ylmethyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 60609439
1-[(2,3,4-trimethoxyphenyl)methyl]azepane
CID 23736534
[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone;oxalic acid
CID 2903445
1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-2-ol;dihydrochloride
CID 3049530
1-[(4-ethoxyphenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide;oxalic acid
CID 163328544
N-butan-2-yl-1-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 163328451
1-[(2,3-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 163328376
N-[(2,3,4-trimethoxyphenyl)methyl]cyclopentanecarboxamide
CID 95945674
N-benzyl-N-ethyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 649006

Frequently Asked Questions

What is the IUPAC name of oxalic acid;N-propan-2-yl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of oxalic acid;N-propan-2-yl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide (CID 126469036) is oxalic acid;N-propan-2-yl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for oxalic acid;N-propan-2-yl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for oxalic acid;N-propan-2-yl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide is COc1ccc(CN2CCC(C(=O)NC(C)C)CC2)c(OC)c1OC.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;N-propan-2-yl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is YEYVESCFVBEGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4.C2H2O4/c1-13(2)20-19(22)14-8-10-21(11-9-14)12-15-6-7-16(23-3)18(25-5)17(15)24-4;3-1(4)2(5)6/h6-7,13-14H,8-12H2,1-5H3,(H,20,22);(H,3,4)(H,5,6).
What are the key properties of oxalic acid;N-propan-2-yl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide?
oxalic acid;N-propan-2-yl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 440.49 g/mol, XLogP of 1.60, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;N-propan-2-yl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 126469036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).