3-[(3-fluorobenzoyl)amino]-N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]pyrazine-2-carboxamide

C26H26FN5O4 — CID 83284560

IUPAC3-[(3-fluorobenzoyl)amino]-N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]pyrazine-2-carboxamide
SMILESCOc1cccc(CC(=O)N2CCC(NC(=O)c3nccnc3NC(=O)c3cccc(F)c3)CC2)c1
InChIInChI=1S/C26H26FN5O4/c1-36-21-7-2-4-17(14-21)15-22(33)32-12-8-20(9-13-32)30-26(35)23-24(29-11-10-28-23)31-25(34)18-5-3-6-19(27)16-18/h2-7,10-11,14,16,20H,8-9,12-13,15H2,1H3,(H,30,35)(H,29,31,34)
InChIKeyCLXIKHSEXJIVHX-UHFFFAOYSA-N
MW491.52 g/mol
LogP2.84
Rot. Bonds7

About 3-[(3-fluorobenzoyl)amino]-N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]pyrazine-2-carboxamide

3-[(3-fluorobenzoyl)amino]-N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]pyrazine-2-carboxamide (PubChem CID 83284560) has the molecular formula C26H26FN5O4 and a molecular weight of 491.52 g/mol. Its IUPAC name is 3-[(3-fluorobenzoyl)amino]-N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[(3-fluorobenzoyl)amino]-N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]pyrazine-2-carboxamide
PubChem CID83284560
Molecular FormulaC26H26FN5O4
Molecular Weight491.52 g/mol
Exact Mass491.20
IUPAC Name3-[(3-fluorobenzoyl)amino]-N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]pyrazine-2-carboxamide
SMILESCOc1cccc(CC(=O)N2CCC(NC(=O)c3nccnc3NC(=O)c3cccc(F)c3)CC2)c1
InChIInChI=1S/C26H26FN5O4/c1-36-21-7-2-4-17(14-21)15-22(33)32-12-8-20(9-13-32)30-26(35)23-24(29-11-10-28-23)31-25(34)18-5-3-6-19(27)16-18/h2-7,10-11,14,16,20H,8-9,12-13,15H2,1H3,(H,30,35)(H,29,31,34)
InChIKeyCLXIKHSEXJIVHX-UHFFFAOYSA-N
XLogP2.84
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.52
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-methylbenzoyl)amino]-N-[1-(2-phenylacetyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 42853891
N-[1-(3-fluorobenzoyl)piperidin-4-yl]-3-(furan-3-carbonylamino)pyrazine-2-carboxamide
CID 42866684
N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-3-fluorobenzamide
CID 108557500
3-benzamido-N-(1-propanoylpiperidin-4-yl)pyrazine-2-carboxamide
CID 83281431
3-[(3-methylbenzoyl)amino]-N-[1-(3-methylbutanoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 46049142
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 48868563
N-(1-benzylpiperidin-4-yl)-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide
CID 42866621
N-[1-(cyclohexylcarbamoyl)piperidin-4-yl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide
CID 42866717
N-cyclopentyl-4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carboxamide
CID 110811015
N-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide
CID 46049068
N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]acetamide
CID 49349287
N-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 47836658

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorobenzoyl)amino]-N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]pyrazine-2-carboxamide?
The IUPAC name of 3-[(3-fluorobenzoyl)amino]-N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]pyrazine-2-carboxamide (CID 83284560) is 3-[(3-fluorobenzoyl)amino]-N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-[(3-fluorobenzoyl)amino]-N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3-[(3-fluorobenzoyl)amino]-N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]pyrazine-2-carboxamide is COc1cccc(CC(=O)N2CCC(NC(=O)c3nccnc3NC(=O)c3cccc(F)c3)CC2)c1.
What is the InChIKey of 3-[(3-fluorobenzoyl)amino]-N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]pyrazine-2-carboxamide?
The InChIKey is CLXIKHSEXJIVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O4/c1-36-21-7-2-4-17(14-21)15-22(33)32-12-8-20(9-13-32)30-26(35)23-24(29-11-10-28-23)31-25(34)18-5-3-6-19(27)16-18/h2-7,10-11,14,16,20H,8-9,12-13,15H2,1H3,(H,30,35)(H,29,31,34).
What are the key properties of 3-[(3-fluorobenzoyl)amino]-N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]pyrazine-2-carboxamide?
3-[(3-fluorobenzoyl)amino]-N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]pyrazine-2-carboxamide has a molecular weight of 491.52 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorobenzoyl)amino]-N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 83284560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).