N'-(2,4-dimethoxyphenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]oxamide

C22H28N4O4 — CID 16887109

IUPACN'-(2,4-dimethoxyphenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]oxamide
SMILESCOc1ccc(NC(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)c(OC)c1
InChIInChI=1S/C22H28N4O4/c1-29-18-3-4-19(20(13-18)30-2)25-22(28)21(27)24-14-16-7-11-26(12-8-16)15-17-5-9-23-10-6-17/h3-6,9-10,13,16H,7-8,11-12,14-15H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyNYTVZQKZPAMEIL-UHFFFAOYSA-N
MW412.49 g/mol
LogP2.07
Rot. Bonds7

About N'-(2,4-dimethoxyphenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]oxamide

N'-(2,4-dimethoxyphenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]oxamide (PubChem CID 16887109) has the molecular formula C22H28N4O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is N'-(2,4-dimethoxyphenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-(2,4-dimethoxyphenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]oxamide
PubChem CID16887109
Molecular FormulaC22H28N4O4
Molecular Weight412.49 g/mol
Exact Mass412.21
IUPAC NameN'-(2,4-dimethoxyphenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]oxamide
SMILESCOc1ccc(NC(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)c(OC)c1
InChIInChI=1S/C22H28N4O4/c1-29-18-3-4-19(20(13-18)30-2)25-22(28)21(27)24-14-16-7-11-26(12-8-16)15-17-5-9-23-10-6-17/h3-6,9-10,13,16H,7-8,11-12,14-15H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyNYTVZQKZPAMEIL-UHFFFAOYSA-N
XLogP2.07
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[(4-methoxyphenyl)methyl]-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]oxamide
CID 16887107
N'-(2,4-dimethoxyphenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxamide
CID 16886684
N'-(2,3-dimethylphenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]oxamide
CID 16887143
3-methoxy-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895960
methyl 4-[[2-oxo-2-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methylamino]acetyl]amino]benzoate
CID 16887131
N'-(2,5-dimethoxyphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide
CID 16887339
1-(2,4-dimethoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea
CID 121108698
1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 16802413
N-(2,4-dimethoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9130137
N'-(2,5-dimethoxyphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
CID 90521021
N'-(3-chloro-4-methoxyphenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]oxamide
CID 16887210
N'-(2-methoxy-5-methylphenyl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide
CID 121107606

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dimethoxyphenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]oxamide?
The IUPAC name of N'-(2,4-dimethoxyphenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]oxamide (CID 16887109) is N'-(2,4-dimethoxyphenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]oxamide.
What is the SMILES notation for N'-(2,4-dimethoxyphenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]oxamide?
The canonical SMILES for N'-(2,4-dimethoxyphenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]oxamide is COc1ccc(NC(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)c(OC)c1.
What is the InChIKey of N'-(2,4-dimethoxyphenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]oxamide?
The InChIKey is NYTVZQKZPAMEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4/c1-29-18-3-4-19(20(13-18)30-2)25-22(28)21(27)24-14-16-7-11-26(12-8-16)15-17-5-9-23-10-6-17/h3-6,9-10,13,16H,7-8,11-12,14-15H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of N'-(2,4-dimethoxyphenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]oxamide?
N'-(2,4-dimethoxyphenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]oxamide has a molecular weight of 412.49 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dimethoxyphenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]oxamide is sourced from PubChem (CID 16887109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).