N-(5-chloro-2-pyridinyl)-1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxamide

C20H22ClN3O3 — CID 55815413

IUPACN-(5-chloro-2-pyridinyl)-1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxamide
SMILESCOc1ccc(CC(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)cc1
InChIInChI=1S/C20H22ClN3O3/c1-27-17-5-2-14(3-6-17)12-19(25)24-10-8-15(9-11-24)20(26)23-18-7-4-16(21)13-22-18/h2-7,13,15H,8-12H2,1H3,(H,22,23,26)
InChIKeyXFAWFPWOWHPALC-UHFFFAOYSA-N
MW387.87 g/mol
LogP3.16
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxamide

N-(5-chloro-2-pyridinyl)-1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxamide (PubChem CID 55815413) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxamide
PubChem CID55815413
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC NameN-(5-chloro-2-pyridinyl)-1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxamide
SMILESCOc1ccc(CC(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)cc1
InChIInChI=1S/C20H22ClN3O3/c1-27-17-5-2-14(3-6-17)12-19(25)24-10-8-15(9-11-24)20(26)23-18-7-4-16(21)13-22-18/h2-7,13,15H,8-12H2,1H3,(H,22,23,26)
InChIKeyXFAWFPWOWHPALC-UHFFFAOYSA-N
XLogP3.16
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-pyridinyl)-2-(4-methoxyphenyl)acetamide
CID 949027
1-[2-(4-methoxyphenyl)acetyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 39700872
1-[2-(4-methoxyphenyl)acetyl]-N-methylpiperidine-4-carboxamide
CID 46420386
N-(5-chloro-2-pyridinyl)-1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidine-4-carboxamide
CID 166251824
1-(3-aminopropanoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 119856586
1-[2-(4-methoxyphenyl)acetyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 113006818
N-(5-chloro-2-pyridinyl)-1-[3-(4-propan-2-ylphenyl)propanoyl]piperidine-4-carboxamide
CID 55923776
N-(2-methoxyphenyl)-1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxamide
CID 33344202
1-[2-(4-methoxyphenyl)acetyl]-N-propylpiperidine-4-carboxamide
CID 113002396
N-(5-chloro-2-pyridinyl)-1-(3,3-diphenylpropanoyl)piperidine-4-carboxamide
CID 55813160
1-[2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55925437
N-butan-2-yl-1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxamide
CID 113002840

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxamide (CID 55815413) is N-(5-chloro-2-pyridinyl)-1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxamide is COc1ccc(CC(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)cc1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxamide?
The InChIKey is XFAWFPWOWHPALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c1-27-17-5-2-14(3-6-17)12-19(25)24-10-8-15(9-11-24)20(26)23-18-7-4-16(21)13-22-18/h2-7,13,15H,8-12H2,1H3,(H,22,23,26).
What are the key properties of N-(5-chloro-2-pyridinyl)-1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxamide?
N-(5-chloro-2-pyridinyl)-1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxamide has a molecular weight of 387.87 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 55815413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).