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

C20H31N3O4 — CID 44826934

IUPAC2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCOc1cn(CC(=O)NCC2CCCO2)c(CN2CCC(C)CC2)cc1=O
InChIInChI=1S/C20H31N3O4/c1-15-5-7-22(8-6-15)12-16-10-18(24)19(26-2)13-23(16)14-20(25)21-11-17-4-3-9-27-17/h10,13,15,17H,3-9,11-12,14H2,1-2H3,(H,21,25)
InChIKeyXHVDQJMUSKJFTB-UHFFFAOYSA-N
MW377.49 g/mol
LogP1.38
Rot. Bonds7

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

2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 44826934) has the molecular formula C20H31N3O4 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID44826934
Molecular FormulaC20H31N3O4
Molecular Weight377.49 g/mol
Exact Mass377.23
IUPAC Name2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCOc1cn(CC(=O)NCC2CCCO2)c(CN2CCC(C)CC2)cc1=O
InChIInChI=1S/C20H31N3O4/c1-15-5-7-22(8-6-15)12-16-10-18(24)19(26-2)13-23(16)14-20(25)21-11-17-4-3-9-27-17/h10,13,15,17H,3-9,11-12,14H2,1-2H3,(H,21,25)
InChIKeyXHVDQJMUSKJFTB-UHFFFAOYSA-N
XLogP1.38
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide (CID 44826934) is 2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide is COc1cn(CC(=O)NCC2CCCO2)c(CN2CCC(C)CC2)cc1=O.
What is the InChIKey of 2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is XHVDQJMUSKJFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O4/c1-15-5-7-22(8-6-15)12-16-10-18(24)19(26-2)13-23(16)14-20(25)21-11-17-4-3-9-27-17/h10,13,15,17H,3-9,11-12,14H2,1-2H3,(H,21,25).
What are the key properties of 2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide?
2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 377.49 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 44826934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).