N-[3-[3-[1-(2-phenoxyacetyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide

C25H26N4O3 — CID 110254948

IUPACN-[3-[3-[1-(2-phenoxyacetyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2nccnc2C2CCCN(C(=O)COc3ccccc3)C2)c1
InChIInChI=1S/C25H26N4O3/c1-18(30)28-21-9-5-7-19(15-21)24-25(27-13-12-26-24)20-8-6-14-29(16-20)23(31)17-32-22-10-3-2-4-11-22/h2-5,7,9-13,15,20H,6,8,14,16-17H2,1H3,(H,28,30)
InChIKeyMTEIVMLUQGXMIJ-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.89
Rot. Bonds6

About N-[3-[3-[1-(2-phenoxyacetyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide

N-[3-[3-[1-(2-phenoxyacetyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide (PubChem CID 110254948) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[3-[3-[1-(2-phenoxyacetyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-[1-(2-phenoxyacetyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide
PubChem CID110254948
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC NameN-[3-[3-[1-(2-phenoxyacetyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2nccnc2C2CCCN(C(=O)COc3ccccc3)C2)c1
InChIInChI=1S/C25H26N4O3/c1-18(30)28-21-9-5-7-19(15-21)24-25(27-13-12-26-24)20-8-6-14-29(16-20)23(31)17-32-22-10-3-2-4-11-22/h2-5,7,9-13,15,20H,6,8,14,16-17H2,1H3,(H,28,30)
InChIKeyMTEIVMLUQGXMIJ-UHFFFAOYSA-N
XLogP3.89
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-[3-[3-[(3R)-1-benzylpiperidin-3-yl]pyrazin-2-yl]phenyl]acetamide
CID 95818594
2-[(3R)-3-[3-(3-acetamidophenyl)pyrazin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide
CID 95819119
1-[3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone
CID 110089878
1-[3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-phenylethanone
CID 110254922
[(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 95818963
N-[4-[[(3S)-3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide
CID 95819285
N-[3-[6-(1-benzoylpiperidin-3-yl)-2-pyridinyl]phenyl]acetamide
CID 110249286
cyclopentyl-[(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]methanone
CID 95819187
[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 95818691
1-[3-[2-(dimethylamino)-5-(3-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-2-phenoxyethanone
CID 110266461

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[1-(2-phenoxyacetyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide?
The IUPAC name of N-[3-[3-[1-(2-phenoxyacetyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide (CID 110254948) is N-[3-[3-[1-(2-phenoxyacetyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[3-[1-(2-phenoxyacetyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[3-[1-(2-phenoxyacetyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2nccnc2C2CCCN(C(=O)COc3ccccc3)C2)c1.
What is the InChIKey of N-[3-[3-[1-(2-phenoxyacetyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide?
The InChIKey is MTEIVMLUQGXMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-18(30)28-21-9-5-7-19(15-21)24-25(27-13-12-26-24)20-8-6-14-29(16-20)23(31)17-32-22-10-3-2-4-11-22/h2-5,7,9-13,15,20H,6,8,14,16-17H2,1H3,(H,28,30).
What are the key properties of N-[3-[3-[1-(2-phenoxyacetyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide?
N-[3-[3-[1-(2-phenoxyacetyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide has a molecular weight of 430.51 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[1-(2-phenoxyacetyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide is sourced from PubChem (CID 110254948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).