1-[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

C23H30N4O4 — CID 55921796

IUPAC1-[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C(C)N2CCC(C(=O)Nc3ccc(C)cn3)CC2)c1
InChIInChI=1S/C23H30N4O4/c1-15-5-8-21(24-14-15)26-23(29)17-9-11-27(12-10-17)16(2)22(28)25-19-13-18(30-3)6-7-20(19)31-4/h5-8,13-14,16-17H,9-12H2,1-4H3,(H,25,28)(H,24,26,29)
InChIKeyJMCIOQLOHCSADI-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.08
Rot. Bonds7

About 1-[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

1-[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 55921796) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is 1-[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID55921796
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC Name1-[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C(C)N2CCC(C(=O)Nc3ccc(C)cn3)CC2)c1
InChIInChI=1S/C23H30N4O4/c1-15-5-8-21(24-14-15)26-23(29)17-9-11-27(12-10-17)16(2)22(28)25-19-13-18(30-3)6-7-20(19)31-4/h5-8,13-14,16-17H,9-12H2,1-4H3,(H,25,28)(H,24,26,29)
InChIKeyJMCIOQLOHCSADI-UHFFFAOYSA-N
XLogP3.08
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide with MolForge

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Related Compounds

1-[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119908046
2-(4-benzoylpiperidin-1-yl)-N-(2,5-dimethoxyphenyl)propanamide
CID 16605888
2-[4-[(5-methyl-2-pyridinyl)carbamoyl]piperidin-1-yl]propanoic acid
CID 119924327
1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 47066593
N-(5-methyl-2-pyridinyl)-1-[1-oxo-1-(2-phenylsulfanylanilino)propan-2-yl]piperidine-4-carboxamide
CID 55921400
(2S)-N-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylpropanamide
CID 9274960
1-[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid
CID 119904868
1-[(2R)-1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl]-N-methylazetidine-3-carboxamide
CID 100611671
N-(2,5-dimethoxyphenyl)-1-methylpiperidine-4-carboxamide
CID 95968075
1-[2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55922832
1-(2-amino-2-oxoethyl)-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 16909214
2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-(2,5-dimethoxyphenyl)propanamide
CID 60593128

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 55921796) is 1-[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is COc1ccc(OC)c(NC(=O)C(C)N2CCC(C(=O)Nc3ccc(C)cn3)CC2)c1.
What is the InChIKey of 1-[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is JMCIOQLOHCSADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4/c1-15-5-8-21(24-14-15)26-23(29)17-9-11-27(12-10-17)16(2)22(28)25-19-13-18(30-3)6-7-20(19)31-4/h5-8,13-14,16-17H,9-12H2,1-4H3,(H,25,28)(H,24,26,29).
What are the key properties of 1-[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
1-[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 55921796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).