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

C21H32N4O4 — CID 18566947

IUPAC2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-cyclohexylacetamide
SMILESCOc1cn(CC(=O)NC2CCCCC2)c(CN2CCN(C(C)=O)CC2)cc1=O
InChIInChI=1S/C21H32N4O4/c1-16(26)24-10-8-23(9-11-24)13-18-12-19(27)20(29-2)14-25(18)15-21(28)22-17-6-4-3-5-7-17/h12,14,17H,3-11,13,15H2,1-2H3,(H,22,28)
InChIKeyQCAZGKXGIGHJSF-UHFFFAOYSA-N
MW404.51 g/mol
LogP0.97
Rot. Bonds6

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

2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-cyclohexylacetamide (PubChem CID 18566947) has the molecular formula C21H32N4O4 and a molecular weight of 404.51 g/mol. Its IUPAC name is 2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-cyclohexylacetamide
PubChem CID18566947
Molecular FormulaC21H32N4O4
Molecular Weight404.51 g/mol
Exact Mass404.24
IUPAC Name2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-cyclohexylacetamide
SMILESCOc1cn(CC(=O)NC2CCCCC2)c(CN2CCN(C(C)=O)CC2)cc1=O
InChIInChI=1S/C21H32N4O4/c1-16(26)24-10-8-23(9-11-24)13-18-12-19(27)20(29-2)14-25(18)15-21(28)22-17-6-4-3-5-7-17/h12,14,17H,3-11,13,15H2,1-2H3,(H,22,28)
InChIKeyQCAZGKXGIGHJSF-UHFFFAOYSA-N
XLogP0.97
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 50.97
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-cyclohexylacetamide?
The IUPAC name of 2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-cyclohexylacetamide (CID 18566947) is 2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-cyclohexylacetamide?
The canonical SMILES for 2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-cyclohexylacetamide is COc1cn(CC(=O)NC2CCCCC2)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-cyclohexylacetamide?
The InChIKey is QCAZGKXGIGHJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O4/c1-16(26)24-10-8-23(9-11-24)13-18-12-19(27)20(29-2)14-25(18)15-21(28)22-17-6-4-3-5-7-17/h12,14,17H,3-11,13,15H2,1-2H3,(H,22,28).
What are the key properties of 2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-cyclohexylacetamide?
2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-cyclohexylacetamide has a molecular weight of 404.51 g/mol, XLogP of 0.97, 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-cyclohexylacetamide is sourced from PubChem (CID 18566947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).