N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide

C20H23ClN4O4 — CID 55783863

IUPACN-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(c3ccc(Cl)cn3)CC2)cc1OCC(N)=O
InChIInChI=1S/C20H23ClN4O4/c1-28-16-4-3-15(10-17(16)29-12-18(22)26)24-20(27)13-6-8-25(9-7-13)19-5-2-14(21)11-23-19/h2-5,10-11,13H,6-9,12H2,1H3,(H2,22,26)(H,24,27)
InChIKeyQQGGNPDBLAUIHG-UHFFFAOYSA-N
MW418.88 g/mol
LogP2.46
Rot. Bonds7

About N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide

N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 55783863) has the molecular formula C20H23ClN4O4 and a molecular weight of 418.88 g/mol. Its IUPAC name is N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
PubChem CID55783863
Molecular FormulaC20H23ClN4O4
Molecular Weight418.88 g/mol
Exact Mass418.14
IUPAC NameN-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(c3ccc(Cl)cn3)CC2)cc1OCC(N)=O
InChIInChI=1S/C20H23ClN4O4/c1-28-16-4-3-15(10-17(16)29-12-18(22)26)24-20(27)13-6-8-25(9-7-13)19-5-2-14(21)11-23-19/h2-5,10-11,13H,6-9,12H2,1H3,(H2,22,26)(H,24,27)
InChIKeyQQGGNPDBLAUIHG-UHFFFAOYSA-N
XLogP2.46
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.88
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-chloro-2-pyridinyl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 71935267
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 38983045
N-(4-bromo-2-methoxy-6-methylphenyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 60581329
1-[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 39466788
N-(3-chloro-4-methoxyphenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53170445
1-(5-chloro-2-pyridinyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide
CID 55958876
N-(3,4-dimethoxyphenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363123
S-[4-[[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56579710
N-(3,4-dimethoxyphenyl)-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-4-carboxamide
CID 53166037
N-(3,4-dimethoxyphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363714
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55687537
N-(2-chlorophenyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 38952409

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide (CID 55783863) is N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide is COc1ccc(NC(=O)C2CCN(c3ccc(Cl)cn3)CC2)cc1OCC(N)=O.
What is the InChIKey of N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is QQGGNPDBLAUIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O4/c1-28-16-4-3-15(10-17(16)29-12-18(22)26)24-20(27)13-6-8-25(9-7-13)19-5-2-14(21)11-23-19/h2-5,10-11,13H,6-9,12H2,1H3,(H2,22,26)(H,24,27).
What are the key properties of N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 418.88 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 55783863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).