N-[4-[[3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide

C24H25ClN4O — CID 110255391

IUPACN-[4-[[3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCCC(c3cncc(-c4cccc(Cl)c4)n3)C2)cc1
InChIInChI=1S/C24H25ClN4O/c1-17(30)27-22-9-7-18(8-10-22)15-29-11-3-5-20(16-29)24-14-26-13-23(28-24)19-4-2-6-21(25)12-19/h2,4,6-10,12-14,20H,3,5,11,15-16H2,1H3,(H,27,30)
InChIKeyFTAXIIBXSLIIBK-UHFFFAOYSA-N
MW420.94 g/mol
LogP5.14
Rot. Bonds5

About N-[4-[[3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide

N-[4-[[3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide (PubChem CID 110255391) has the molecular formula C24H25ClN4O and a molecular weight of 420.94 g/mol. Its IUPAC name is N-[4-[[3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide
PubChem CID110255391
Molecular FormulaC24H25ClN4O
Molecular Weight420.94 g/mol
Exact Mass420.17
IUPAC NameN-[4-[[3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCCC(c3cncc(-c4cccc(Cl)c4)n3)C2)cc1
InChIInChI=1S/C24H25ClN4O/c1-17(30)27-22-9-7-18(8-10-22)15-29-11-3-5-20(16-29)24-14-26-13-23(28-24)19-4-2-6-21(25)12-19/h2,4,6-10,12-14,20H,3,5,11,15-16H2,1H3,(H,27,30)
InChIKeyFTAXIIBXSLIIBK-UHFFFAOYSA-N
XLogP5.14
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.94
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[(3S)-3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide
CID 95819285
2-[(3S)-3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanol
CID 95819525
1-[(3R)-3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone
CID 95819827
1-[3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 110255306
1-[(3R)-3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 95819705
1-[3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 110255373
N-[4-[[(3S)-3-(3-chlorobenzoyl)piperidin-1-yl]methyl]phenyl]acetamide
CID 26405826
[3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 110255383
[4-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-[2-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 110149953
N-[4-[[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]phenyl]acetamide
CID 95129574
N-[3-[3-[(3R)-1-benzylpiperidin-3-yl]pyrazin-2-yl]phenyl]acetamide
CID 95818594
2-hydroxy-1-[3-[6-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 155899913

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide (CID 110255391) is N-[4-[[3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CN2CCCC(c3cncc(-c4cccc(Cl)c4)n3)C2)cc1.
What is the InChIKey of N-[4-[[3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide?
The InChIKey is FTAXIIBXSLIIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O/c1-17(30)27-22-9-7-18(8-10-22)15-29-11-3-5-20(16-29)24-14-26-13-23(28-24)19-4-2-6-21(25)12-19/h2,4,6-10,12-14,20H,3,5,11,15-16H2,1H3,(H,27,30).
What are the key properties of N-[4-[[3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide?
N-[4-[[3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide has a molecular weight of 420.94 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 110255391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).