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

C22H27N5O3 — CID 16887250

IUPACN'-(4-acetamidophenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]oxamide
SMILESCC(=O)Nc1ccc(NC(=O)C(=O)NCC2CCN(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C22H27N5O3/c1-16(28)25-18-5-7-19(8-6-18)26-22(30)21(29)24-14-17-9-12-27(13-10-17)15-20-4-2-3-11-23-20/h2-8,11,17H,9-10,12-15H2,1H3,(H,24,29)(H,25,28)(H,26,30)
InChIKeySNFFFSXLACQEFA-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.01
Rot. Bonds6

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

N'-(4-acetamidophenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]oxamide (PubChem CID 16887250) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is N'-(4-acetamidophenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-(4-acetamidophenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]oxamide
PubChem CID16887250
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC NameN'-(4-acetamidophenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]oxamide
SMILESCC(=O)Nc1ccc(NC(=O)C(=O)NCC2CCN(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C22H27N5O3/c1-16(28)25-18-5-7-19(8-6-18)26-22(30)21(29)24-14-17-9-12-27(13-10-17)15-20-4-2-3-11-23-20/h2-8,11,17H,9-10,12-15H2,1H3,(H,24,29)(H,25,28)(H,26,30)
InChIKeySNFFFSXLACQEFA-UHFFFAOYSA-N
XLogP2.01
TPSA103.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-chloro-4-methoxyphenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]oxamide
CID 16887210
N'-(3-chloro-4-fluorophenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]oxamide
CID 16887200
N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896080
4-methoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895998
N-[2-(cyclohexen-1-yl)ethyl]-N'-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]oxamide
CID 16887197
2-(3-methylphenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 16896062
3,4,5-trimethoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896001
2-(4-acetamidophenyl)sulfanyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]propanamide
CID 55858867
oxalic acid;N-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 2901483
methyl 4-[[2-oxo-2-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methylamino]acetyl]amino]benzoate
CID 16887131
4-cyano-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896060
2-oxo-N-[[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]butanamide
CID 95227434

Frequently Asked Questions

What is the IUPAC name of N'-(4-acetamidophenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]oxamide?
The IUPAC name of N'-(4-acetamidophenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]oxamide (CID 16887250) is N'-(4-acetamidophenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]oxamide.
What is the SMILES notation for N'-(4-acetamidophenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]oxamide?
The canonical SMILES for N'-(4-acetamidophenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]oxamide is CC(=O)Nc1ccc(NC(=O)C(=O)NCC2CCN(Cc3ccccn3)CC2)cc1.
What is the InChIKey of N'-(4-acetamidophenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]oxamide?
The InChIKey is SNFFFSXLACQEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-16(28)25-18-5-7-19(8-6-18)26-22(30)21(29)24-14-17-9-12-27(13-10-17)15-20-4-2-3-11-23-20/h2-8,11,17H,9-10,12-15H2,1H3,(H,24,29)(H,25,28)(H,26,30).
What are the key properties of N'-(4-acetamidophenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]oxamide?
N'-(4-acetamidophenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]oxamide has a molecular weight of 409.49 g/mol, XLogP of 2.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-acetamidophenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]oxamide is sourced from PubChem (CID 16887250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).