N-[4-[3-(1-butanoylpiperidin-3-yl)pyrazin-2-yl]oxyphenyl]acetamide

C21H26N4O3 — CID 110256263

IUPACN-[4-[3-(1-butanoylpiperidin-3-yl)pyrazin-2-yl]oxyphenyl]acetamide
SMILESCCCC(=O)N1CCCC(c2nccnc2Oc2ccc(NC(C)=O)cc2)C1
InChIInChI=1S/C21H26N4O3/c1-3-5-19(27)25-13-4-6-16(14-25)20-21(23-12-11-22-20)28-18-9-7-17(8-10-18)24-15(2)26/h7-12,16H,3-6,13-14H2,1-2H3,(H,24,26)
InChIKeyVRUDITIHBIIRIH-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.73
Rot. Bonds6

About N-[4-[3-(1-butanoylpiperidin-3-yl)pyrazin-2-yl]oxyphenyl]acetamide

N-[4-[3-(1-butanoylpiperidin-3-yl)pyrazin-2-yl]oxyphenyl]acetamide (PubChem CID 110256263) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[4-[3-(1-butanoylpiperidin-3-yl)pyrazin-2-yl]oxyphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(1-butanoylpiperidin-3-yl)pyrazin-2-yl]oxyphenyl]acetamide
PubChem CID110256263
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-[4-[3-(1-butanoylpiperidin-3-yl)pyrazin-2-yl]oxyphenyl]acetamide
SMILESCCCC(=O)N1CCCC(c2nccnc2Oc2ccc(NC(C)=O)cc2)C1
InChIInChI=1S/C21H26N4O3/c1-3-5-19(27)25-13-4-6-16(14-25)20-21(23-12-11-22-20)28-18-9-7-17(8-10-18)24-15(2)26/h7-12,16H,3-6,13-14H2,1-2H3,(H,24,26)
InChIKeyVRUDITIHBIIRIH-UHFFFAOYSA-N
XLogP3.73
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-[(3R)-3-[3-(4-chlorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95823413
1-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821906
3-chloro-1-[3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 175656949
3-chloro-1-[3-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 175656810
1-[(3R)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 95823286
3-methoxy-1-[3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 110256428
[(3S)-3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 95823451
[(3R)-3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone
CID 95823111
1-[(3S)-3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821922
2-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-N-methylacetamide
CID 125006836
2-(methylamino)-1-[(3R)-3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95823499
1-[(3S)-3-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 95823289

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(1-butanoylpiperidin-3-yl)pyrazin-2-yl]oxyphenyl]acetamide?
The IUPAC name of N-[4-[3-(1-butanoylpiperidin-3-yl)pyrazin-2-yl]oxyphenyl]acetamide (CID 110256263) is N-[4-[3-(1-butanoylpiperidin-3-yl)pyrazin-2-yl]oxyphenyl]acetamide.
What is the SMILES notation for N-[4-[3-(1-butanoylpiperidin-3-yl)pyrazin-2-yl]oxyphenyl]acetamide?
The canonical SMILES for N-[4-[3-(1-butanoylpiperidin-3-yl)pyrazin-2-yl]oxyphenyl]acetamide is CCCC(=O)N1CCCC(c2nccnc2Oc2ccc(NC(C)=O)cc2)C1.
What is the InChIKey of N-[4-[3-(1-butanoylpiperidin-3-yl)pyrazin-2-yl]oxyphenyl]acetamide?
The InChIKey is VRUDITIHBIIRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-3-5-19(27)25-13-4-6-16(14-25)20-21(23-12-11-22-20)28-18-9-7-17(8-10-18)24-15(2)26/h7-12,16H,3-6,13-14H2,1-2H3,(H,24,26).
What are the key properties of N-[4-[3-(1-butanoylpiperidin-3-yl)pyrazin-2-yl]oxyphenyl]acetamide?
N-[4-[3-(1-butanoylpiperidin-3-yl)pyrazin-2-yl]oxyphenyl]acetamide has a molecular weight of 382.46 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(1-butanoylpiperidin-3-yl)pyrazin-2-yl]oxyphenyl]acetamide is sourced from PubChem (CID 110256263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).