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

C18H26N2O8 — CID 163326830

IUPACoxalic acid;1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(CN2CCC(C(N)=O)CC2)c(OC)c1OC.O=C(O)C(=O)O
InChIInChI=1S/C16H24N2O4.C2H2O4/c1-20-13-5-4-12(14(21-2)15(13)22-3)10-18-8-6-11(7-9-18)16(17)19;3-1(4)2(5)6/h4-5,11H,6-10H2,1-3H3,(H2,17,19);(H,3,4)(H,5,6)
InChIKeyHRMZIZIVJMHVHX-UHFFFAOYSA-N
MW398.41 g/mol
LogP0.57
Rot. Bonds6

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

oxalic acid;1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 163326830) has the molecular formula C18H26N2O8 and a molecular weight of 398.41 g/mol. Its IUPAC name is oxalic acid;1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Nameoxalic acid;1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID163326830
Molecular FormulaC18H26N2O8
Molecular Weight398.41 g/mol
Exact Mass398.17
IUPAC Nameoxalic acid;1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(CN2CCC(C(N)=O)CC2)c(OC)c1OC.O=C(O)C(=O)O
InChIInChI=1S/C16H24N2O4.C2H2O4/c1-20-13-5-4-12(14(21-2)15(13)22-3)10-18-8-6-11(7-9-18)16(17)19;3-1(4)2(5)6/h4-5,11H,6-10H2,1-3H3,(H2,17,19);(H,3,4)(H,5,6)
InChIKeyHRMZIZIVJMHVHX-UHFFFAOYSA-N
XLogP0.57
TPSA148.62 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 50.57
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;N-propan-2-yl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 126469036
1-cyclopentyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine;oxalic acid
CID 17366796
1-[(2,3,4-trimethoxyphenyl)methyl]azepane
CID 23736534
1-[(5-chloro-2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 9443435
1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 3884860
N-benzyl-N-ethyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 649006
N-phenyl-N-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-yl]acetamide
CID 46055000
[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone;oxalic acid
CID 2903445
1-[(2,3-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 23884997
1-[(2,3-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide;oxalic acid
CID 123132441
1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine;oxalic acid
CID 2880183
N-benzyl-N-butyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 4255296

Frequently Asked Questions

What is the IUPAC name of oxalic acid;1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of oxalic acid;1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide (CID 163326830) is oxalic acid;1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for oxalic acid;1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for oxalic acid;1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide is COc1ccc(CN2CCC(C(N)=O)CC2)c(OC)c1OC.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is HRMZIZIVJMHVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4.C2H2O4/c1-20-13-5-4-12(14(21-2)15(13)22-3)10-18-8-6-11(7-9-18)16(17)19;3-1(4)2(5)6/h4-5,11H,6-10H2,1-3H3,(H2,17,19);(H,3,4)(H,5,6).
What are the key properties of oxalic acid;1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide?
oxalic acid;1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 398.41 g/mol, XLogP of 0.57, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 163326830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).