N-tert-butyl-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide

C19H31N3O3 — CID 27603267

IUPACN-tert-butyl-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide
SMILESCOc1cn(CC(=O)NC(C)(C)C)c(CN2CCC(C)CC2)cc1=O
InChIInChI=1S/C19H31N3O3/c1-14-6-8-21(9-7-14)11-15-10-16(23)17(25-5)12-22(15)13-18(24)20-19(2,3)4/h10,12,14H,6-9,11,13H2,1-5H3,(H,20,24)
InChIKeyPWWACWCVFKLNJS-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.00
Rot. Bonds5

About N-tert-butyl-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide

N-tert-butyl-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide (PubChem CID 27603267) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is N-tert-butyl-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide
PubChem CID27603267
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC NameN-tert-butyl-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide
SMILESCOc1cn(CC(=O)NC(C)(C)C)c(CN2CCC(C)CC2)cc1=O
InChIInChI=1S/C19H31N3O3/c1-14-6-8-21(9-7-14)11-15-10-16(23)17(25-5)12-22(15)13-18(24)20-19(2,3)4/h10,12,14H,6-9,11,13H2,1-5H3,(H,20,24)
InChIKeyPWWACWCVFKLNJS-UHFFFAOYSA-N
XLogP2.00
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-tert-butyl-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-tert-butyl-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide (CID 27603267) is N-tert-butyl-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-tert-butyl-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide is COc1cn(CC(=O)NC(C)(C)C)c(CN2CCC(C)CC2)cc1=O.
What is the InChIKey of N-tert-butyl-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide?
The InChIKey is PWWACWCVFKLNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-14-6-8-21(9-7-14)11-15-10-16(23)17(25-5)12-22(15)13-18(24)20-19(2,3)4/h10,12,14H,6-9,11,13H2,1-5H3,(H,20,24).
What are the key properties of N-tert-butyl-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide?
N-tert-butyl-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide has a molecular weight of 349.48 g/mol, XLogP of 2.00, 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-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 27603267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).