2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-cyclopentylacetamide

C20H30N4O4 — CID 18566946

IUPAC2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-cyclopentylacetamide
SMILESCOc1cn(CC(=O)NC2CCCC2)c(CN2CCN(C(C)=O)CC2)cc1=O
InChIInChI=1S/C20H30N4O4/c1-15(25)23-9-7-22(8-10-23)12-17-11-18(26)19(28-2)13-24(17)14-20(27)21-16-5-3-4-6-16/h11,13,16H,3-10,12,14H2,1-2H3,(H,21,27)
InChIKeySSFHXQSDJXEXNA-UHFFFAOYSA-N
MW390.48 g/mol
LogP0.58
Rot. Bonds6

About 2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-cyclopentylacetamide

2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-cyclopentylacetamide (PubChem CID 18566946) has the molecular formula C20H30N4O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is 2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-cyclopentylacetamide
PubChem CID18566946
Molecular FormulaC20H30N4O4
Molecular Weight390.48 g/mol
Exact Mass390.23
IUPAC Name2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-cyclopentylacetamide
SMILESCOc1cn(CC(=O)NC2CCCC2)c(CN2CCN(C(C)=O)CC2)cc1=O
InChIInChI=1S/C20H30N4O4/c1-15(25)23-9-7-22(8-10-23)12-17-11-18(26)19(28-2)13-24(17)14-20(27)21-16-5-3-4-6-16/h11,13,16H,3-10,12,14H2,1-2H3,(H,21,27)
InChIKeySSFHXQSDJXEXNA-UHFFFAOYSA-N
XLogP0.58
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-cyclopentylacetamide?
The IUPAC name of 2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-cyclopentylacetamide (CID 18566946) is 2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-cyclopentylacetamide?
The canonical SMILES for 2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-cyclopentylacetamide is COc1cn(CC(=O)NC2CCCC2)c(CN2CCN(C(C)=O)CC2)cc1=O.
What is the InChIKey of 2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-cyclopentylacetamide?
The InChIKey is SSFHXQSDJXEXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O4/c1-15(25)23-9-7-22(8-10-23)12-17-11-18(26)19(28-2)13-24(17)14-20(27)21-16-5-3-4-6-16/h11,13,16H,3-10,12,14H2,1-2H3,(H,21,27).
What are the key properties of 2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-cyclopentylacetamide?
2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-cyclopentylacetamide has a molecular weight of 390.48 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-cyclopentylacetamide is sourced from PubChem (CID 18566946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).