2-[(3R)-3-[3-(3-acetamidophenyl)pyrazin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide

C21H27N5O2 — CID 95819119

IUPAC2-[(3R)-3-[3-(3-acetamidophenyl)pyrazin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide
SMILESCC(=O)Nc1cccc(-c2nccnc2[C@@H]2CCCN(CC(=O)N(C)C)C2)c1
InChIInChI=1S/C21H27N5O2/c1-15(27)24-18-8-4-6-16(12-18)20-21(23-10-9-22-20)17-7-5-11-26(13-17)14-19(28)25(2)3/h4,6,8-10,12,17H,5,7,11,13-14H2,1-3H3,(H,24,27)/t17-/m1/s1
InChIKeyUFRBWYPMNJJLBA-QGZVFWFLSA-N
MW381.48 g/mol
LogP2.37
Rot. Bonds5

About 2-[(3R)-3-[3-(3-acetamidophenyl)pyrazin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide

2-[(3R)-3-[3-(3-acetamidophenyl)pyrazin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide (PubChem CID 95819119) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-[(3R)-3-[3-(3-acetamidophenyl)pyrazin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(3R)-3-[3-(3-acetamidophenyl)pyrazin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide
PubChem CID95819119
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name2-[(3R)-3-[3-(3-acetamidophenyl)pyrazin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide
SMILESCC(=O)Nc1cccc(-c2nccnc2[C@@H]2CCCN(CC(=O)N(C)C)C2)c1
InChIInChI=1S/C21H27N5O2/c1-15(27)24-18-8-4-6-16(12-18)20-21(23-10-9-22-20)17-7-5-11-26(13-17)14-19(28)25(2)3/h4,6,8-10,12,17H,5,7,11,13-14H2,1-3H3,(H,24,27)/t17-/m1/s1
InChIKeyUFRBWYPMNJJLBA-QGZVFWFLSA-N
XLogP2.37
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[3-[(3R)-1-benzylpiperidin-3-yl]pyrazin-2-yl]phenyl]acetamide
CID 95818594
N-[3-[3-[(3S)-1-(2-hydroxyacetyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide
CID 95819324
N-[3-[3-[(3R)-1-(2-phenoxyethyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide
CID 95819133
2-[3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide
CID 110255043
N-[3-[3-[1-(2-phenoxyacetyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide
CID 110254948
N-[4-[[(3S)-3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide
CID 95819285
3-[3-[(3S)-1-benzylpiperidin-3-yl]pyrazin-2-yl]benzamide
CID 95818592
3-[3-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrazin-2-yl]benzamide
CID 95818755
3-[3-[(3R)-1-(dimethylsulfamoyl)piperidin-3-yl]pyrazin-2-yl]benzamide
CID 95819022
3-[3-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazin-2-yl]benzamide
CID 95819300
3-[3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazin-2-yl]benzamide
CID 110254810
1-[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 95819217

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[3-(3-acetamidophenyl)pyrazin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[(3R)-3-[3-(3-acetamidophenyl)pyrazin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide (CID 95819119) is 2-[(3R)-3-[3-(3-acetamidophenyl)pyrazin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(3R)-3-[3-(3-acetamidophenyl)pyrazin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(3R)-3-[3-(3-acetamidophenyl)pyrazin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide is CC(=O)Nc1cccc(-c2nccnc2[C@@H]2CCCN(CC(=O)N(C)C)C2)c1.
What is the InChIKey of 2-[(3R)-3-[3-(3-acetamidophenyl)pyrazin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide?
The InChIKey is UFRBWYPMNJJLBA-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-15(27)24-18-8-4-6-16(12-18)20-21(23-10-9-22-20)17-7-5-11-26(13-17)14-19(28)25(2)3/h4,6,8-10,12,17H,5,7,11,13-14H2,1-3H3,(H,24,27)/t17-/m1/s1.
What are the key properties of 2-[(3R)-3-[3-(3-acetamidophenyl)pyrazin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide?
2-[(3R)-3-[3-(3-acetamidophenyl)pyrazin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide has a molecular weight of 381.48 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-[3-(3-acetamidophenyl)pyrazin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 95819119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).