N-[3-[3-[(3R)-1-benzylpiperidin-3-yl]pyrazin-2-yl]phenyl]acetamide

C24H26N4O — CID 95818594

IUPACN-[3-[3-[(3R)-1-benzylpiperidin-3-yl]pyrazin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2nccnc2[C@@H]2CCCN(Cc3ccccc3)C2)c1
InChIInChI=1S/C24H26N4O/c1-18(29)27-22-11-5-9-20(15-22)23-24(26-13-12-25-23)21-10-6-14-28(17-21)16-19-7-3-2-4-8-19/h2-5,7-9,11-13,15,21H,6,10,14,16-17H2,1H3,(H,27,29)/t21-/m1/s1
InChIKeyCEOBGZWEAMDOFQ-OAQYLSRUSA-N
MW386.50 g/mol
LogP4.48
Rot. Bonds5

About N-[3-[3-[(3R)-1-benzylpiperidin-3-yl]pyrazin-2-yl]phenyl]acetamide

N-[3-[3-[(3R)-1-benzylpiperidin-3-yl]pyrazin-2-yl]phenyl]acetamide (PubChem CID 95818594) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[3-[3-[(3R)-1-benzylpiperidin-3-yl]pyrazin-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-[(3R)-1-benzylpiperidin-3-yl]pyrazin-2-yl]phenyl]acetamide
PubChem CID95818594
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC NameN-[3-[3-[(3R)-1-benzylpiperidin-3-yl]pyrazin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2nccnc2[C@@H]2CCCN(Cc3ccccc3)C2)c1
InChIInChI=1S/C24H26N4O/c1-18(29)27-22-11-5-9-20(15-22)23-24(26-13-12-25-23)21-10-6-14-28(17-21)16-19-7-3-2-4-8-19/h2-5,7-9,11-13,15,21H,6,10,14,16-17H2,1H3,(H,27,29)/t21-/m1/s1
InChIKeyCEOBGZWEAMDOFQ-OAQYLSRUSA-N
XLogP4.48
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.48
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-[(3R)-3-[3-(3-acetamidophenyl)pyrazin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide
CID 95819119
N-[3-[3-[(3R)-1-(2-phenoxyethyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide
CID 95819133
3-[3-[(3S)-1-benzylpiperidin-3-yl]pyrazin-2-yl]benzamide
CID 95818592
N-[3-[3-[(3S)-1-(2-hydroxyacetyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide
CID 95819324
N-[3-[3-[1-(2-phenoxyacetyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide
CID 110254948
3-[3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazin-2-yl]benzamide
CID 110254810
3-[3-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrazin-2-yl]benzamide
CID 95818755
3-[3-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazin-2-yl]benzamide
CID 95819300
1-[3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-phenylethanone
CID 110254922
2-[(3R)-1-benzylpiperidin-3-yl]-3-(2-fluorophenyl)pyrazine
CID 95818585
2-(4-fluorophenyl)-3-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine
CID 95818618

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[(3R)-1-benzylpiperidin-3-yl]pyrazin-2-yl]phenyl]acetamide?
The IUPAC name of N-[3-[3-[(3R)-1-benzylpiperidin-3-yl]pyrazin-2-yl]phenyl]acetamide (CID 95818594) is N-[3-[3-[(3R)-1-benzylpiperidin-3-yl]pyrazin-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[3-[(3R)-1-benzylpiperidin-3-yl]pyrazin-2-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[3-[(3R)-1-benzylpiperidin-3-yl]pyrazin-2-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2nccnc2[C@@H]2CCCN(Cc3ccccc3)C2)c1.
What is the InChIKey of N-[3-[3-[(3R)-1-benzylpiperidin-3-yl]pyrazin-2-yl]phenyl]acetamide?
The InChIKey is CEOBGZWEAMDOFQ-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H26N4O/c1-18(29)27-22-11-5-9-20(15-22)23-24(26-13-12-25-23)21-10-6-14-28(17-21)16-19-7-3-2-4-8-19/h2-5,7-9,11-13,15,21H,6,10,14,16-17H2,1H3,(H,27,29)/t21-/m1/s1.
What are the key properties of N-[3-[3-[(3R)-1-benzylpiperidin-3-yl]pyrazin-2-yl]phenyl]acetamide?
N-[3-[3-[(3R)-1-benzylpiperidin-3-yl]pyrazin-2-yl]phenyl]acetamide has a molecular weight of 386.50 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[(3R)-1-benzylpiperidin-3-yl]pyrazin-2-yl]phenyl]acetamide is sourced from PubChem (CID 95818594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).