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

C22H27ClN4O4 — CID 55816590

IUPAC1-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCOc1cc(OC)c(NC(=O)CN2CCC(C(=O)Nc3cc(C)ccn3)CC2)cc1Cl
InChIInChI=1S/C22H27ClN4O4/c1-14-4-7-24-20(10-14)26-22(29)15-5-8-27(9-6-15)13-21(28)25-17-11-16(23)18(30-2)12-19(17)31-3/h4,7,10-12,15H,5-6,8-9,13H2,1-3H3,(H,25,28)(H,24,26,29)
InChIKeyVMLNASUZSHTDNP-UHFFFAOYSA-N
MW446.94 g/mol
LogP3.35
Rot. Bonds7

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

1-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 55816590) has the molecular formula C22H27ClN4O4 and a molecular weight of 446.94 g/mol. Its IUPAC name is 1-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID55816590
Molecular FormulaC22H27ClN4O4
Molecular Weight446.94 g/mol
Exact Mass446.17
IUPAC Name1-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCOc1cc(OC)c(NC(=O)CN2CCC(C(=O)Nc3cc(C)ccn3)CC2)cc1Cl
InChIInChI=1S/C22H27ClN4O4/c1-14-4-7-24-20(10-14)26-22(29)15-5-8-27(9-6-15)13-21(28)25-17-11-16(23)18(30-2)12-19(17)31-3/h4,7,10-12,15H,5-6,8-9,13H2,1-3H3,(H,25,28)(H,24,26,29)
InChIKeyVMLNASUZSHTDNP-UHFFFAOYSA-N
XLogP3.35
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.94
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55816268
2-(azepan-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 6469154
N-(5-chloro-2-methoxyphenyl)-1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909398
1-(2-methoxy-5-methylbenzoyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55930865
N-(4-methyl-2-pyridinyl)-1-[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl]piperidine-4-carboxamide
CID 55922165
N-(2-methoxy-4-methylphenyl)-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 16910362
N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 119919693
N-(3-chloro-4-methylphenyl)-1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16910107
N-(5-chloro-2,4-dimethoxyphenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide
CID 53129868
1-(4-methoxy-3-methylphenyl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55913924
N-(5-chloro-2-methoxyphenyl)-1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16910110
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]acetamide
CID 146131833

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 55816590) is 1-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide is COc1cc(OC)c(NC(=O)CN2CCC(C(=O)Nc3cc(C)ccn3)CC2)cc1Cl.
What is the InChIKey of 1-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is VMLNASUZSHTDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O4/c1-14-4-7-24-20(10-14)26-22(29)15-5-8-27(9-6-15)13-21(28)25-17-11-16(23)18(30-2)12-19(17)31-3/h4,7,10-12,15H,5-6,8-9,13H2,1-3H3,(H,25,28)(H,24,26,29).
What are the key properties of 1-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
1-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 446.94 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 55816590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).