N-tert-butyl-2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]acetamide

C18H29N3O3 — CID 27532178

IUPACN-tert-butyl-2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]acetamide
SMILESCOc1cn(CC(=O)NC(C)(C)C)c(CN2CCCCC2)cc1=O
InChIInChI=1S/C18H29N3O3/c1-18(2,3)19-17(23)13-21-12-16(24-4)15(22)10-14(21)11-20-8-6-5-7-9-20/h10,12H,5-9,11,13H2,1-4H3,(H,19,23)
InChIKeyQHELUNVUETWXHK-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.76
Rot. Bonds5

About N-tert-butyl-2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]acetamide

N-tert-butyl-2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]acetamide (PubChem CID 27532178) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-tert-butyl-2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]acetamide
PubChem CID27532178
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC NameN-tert-butyl-2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]acetamide
SMILESCOc1cn(CC(=O)NC(C)(C)C)c(CN2CCCCC2)cc1=O
InChIInChI=1S/C18H29N3O3/c1-18(2,3)19-17(23)13-21-12-16(24-4)15(22)10-14(21)11-20-8-6-5-7-9-20/h10,12H,5-9,11,13H2,1-4H3,(H,19,23)
InChIKeyQHELUNVUETWXHK-UHFFFAOYSA-N
XLogP1.76
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-Hydroxy-5-methoxy-2-pyridinyl)methyl]-1-isobutyl-3-methyl-2-piperazinone
CID 56896852
2-(2-((4-acetylpiperazin-1-yl)methyl)-5-methoxy-4-oxopyridin-1(4H)-yl)-N-cyclohexylacetamide
CID 18566947
N-(2-{7-methoxy-1,8-dioxo-1H,2H,3H,4H,8H-pyrido[1,2-a]pyrazin-2-yl}ethyl)-3,3-dimethylbutanamide
CID 27378059
N-[2-(6-methoxy-1,7-dioxo-2,4a-diaza-1,3,4,7-tetrahydro-2H-naphth-2-yl)ethyl]propionamide
CID 27457073
N-(tert-butyl)-2-(5-methoxy-2-((4-methylpiperidin-1-yl)methyl)-4-oxopyridin-1(4H)-yl)acetamide
CID 27603267
N-cyclohexyl-2-(5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)pyridin-1(4H)-yl)acetamide
CID 44015419
2-(2-(azepan-1-ylmethyl)-5-methoxy-4-oxopyridin-1(4H)-yl)-N-cyclohexylacetamide
CID 44015420
N-isopropyl-2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)pyridin-1(4H)-yl]acetamide
CID 27532517
2-(5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)pyridin-1(4H)-yl)acetamide
CID 40829092
N-Cyclopentyl-2-{5-methoxy-4-oxo-2-[(piperidin-1-YL)methyl]-1,4-dihydropyridin-1-YL}acetamide
CID 44826930
N-cyclopentyl-2-(5-methoxy-2-(morpholinomethyl)-4-oxopyridin-1(4H)-yl)acetamide
CID 44894737
2-[(4-Fluoro-1-piperidinyl)carbonyl]-5-methoxy-4-pyridinol
CID 74232222

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-tert-butyl-2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]acetamide (CID 27532178) is N-tert-butyl-2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-tert-butyl-2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]acetamide is COc1cn(CC(=O)NC(C)(C)C)c(CN2CCCCC2)cc1=O.
What is the InChIKey of N-tert-butyl-2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]acetamide?
The InChIKey is QHELUNVUETWXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-18(2,3)19-17(23)13-21-12-16(24-4)15(22)10-14(21)11-20-8-6-5-7-9-20/h10,12H,5-9,11,13H2,1-4H3,(H,19,23).
What are the key properties of N-tert-butyl-2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]acetamide?
N-tert-butyl-2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]acetamide has a molecular weight of 335.45 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 27532178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).