N-[2-methyl-1-oxo-1-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-2-yl]benzamide

C26H28N4O3 — CID 110148762

IUPACN-[2-methyl-1-oxo-1-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-2-yl]benzamide
SMILESCC(C)(NC(=O)c1ccccc1)C(=O)N1CCCC(c2cncc(Oc3ccccc3)n2)C1
InChIInChI=1S/C26H28N4O3/c1-26(2,29-24(31)19-10-5-3-6-11-19)25(32)30-15-9-12-20(18-30)22-16-27-17-23(28-22)33-21-13-7-4-8-14-21/h3-8,10-11,13-14,16-17,20H,9,12,15,18H2,1-2H3,(H,29,31)
InChIKeyZRVBKHUJRNBAQR-UHFFFAOYSA-N
MW444.54 g/mol
LogP4.18
Rot. Bonds6

About N-[2-methyl-1-oxo-1-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-2-yl]benzamide

N-[2-methyl-1-oxo-1-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-2-yl]benzamide (PubChem CID 110148762) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-[2-methyl-1-oxo-1-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-2-yl]benzamide.

Molecular Properties

Compound NameN-[2-methyl-1-oxo-1-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-2-yl]benzamide
PubChem CID110148762
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC NameN-[2-methyl-1-oxo-1-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-2-yl]benzamide
SMILESCC(C)(NC(=O)c1ccccc1)C(=O)N1CCCC(c2cncc(Oc3ccccc3)n2)C1
InChIInChI=1S/C26H28N4O3/c1-26(2,29-24(31)19-10-5-3-6-11-19)25(32)30-15-9-12-20(18-30)22-16-27-17-23(28-22)33-21-13-7-4-8-14-21/h3-8,10-11,13-14,16-17,20H,9,12,15,18H2,1-2H3,(H,29,31)
InChIKeyZRVBKHUJRNBAQR-UHFFFAOYSA-N
XLogP4.18
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-N-[2-methyl-1-oxo-1-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-2-yl]benzamide
CID 132773164
N-[2-oxo-2-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]ethyl]methanesulfonamide
CID 110256642
oxan-4-yl-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 95823108
(6-methyl-2-pyridinyl)-[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 124990884
(4-methyl-1,3-oxazol-5-yl)-[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 124989570
N-methyl-2-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]acetamide
CID 124972275
N-methyl-2-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]acetamide
CID 110096056
1-[(3R)-3-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]ethanone
CID 95821940
1-[2-oxo-2-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 110256535
[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]-pyridazin-3-ylmethanone
CID 124978644
[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone
CID 124988968
2-methyl-6-[3-(6-phenoxypyrazin-2-yl)piperidine-1-carbonyl]pyridazin-3-one
CID 110256592

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-oxo-1-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-2-yl]benzamide?
The IUPAC name of N-[2-methyl-1-oxo-1-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-2-yl]benzamide (CID 110148762) is N-[2-methyl-1-oxo-1-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-2-yl]benzamide.
What is the SMILES notation for N-[2-methyl-1-oxo-1-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-2-yl]benzamide?
The canonical SMILES for N-[2-methyl-1-oxo-1-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-2-yl]benzamide is CC(C)(NC(=O)c1ccccc1)C(=O)N1CCCC(c2cncc(Oc3ccccc3)n2)C1.
What is the InChIKey of N-[2-methyl-1-oxo-1-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-2-yl]benzamide?
The InChIKey is ZRVBKHUJRNBAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-26(2,29-24(31)19-10-5-3-6-11-19)25(32)30-15-9-12-20(18-30)22-16-27-17-23(28-22)33-21-13-7-4-8-14-21/h3-8,10-11,13-14,16-17,20H,9,12,15,18H2,1-2H3,(H,29,31).
What are the key properties of N-[2-methyl-1-oxo-1-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-2-yl]benzamide?
N-[2-methyl-1-oxo-1-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-2-yl]benzamide has a molecular weight of 444.54 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-oxo-1-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-2-yl]benzamide is sourced from PubChem (CID 110148762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).