(4S)-3-[6-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]-4-benzyl-1,3-oxazolidin-2-one

C22H26N4O3 — CID 125020370

IUPAC(4S)-3-[6-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]-4-benzyl-1,3-oxazolidin-2-one
SMILESCC(=O)N1CCC(Cc2cncc(N3C(=O)OC[C@@H]3Cc3ccccc3)n2)CC1
InChIInChI=1S/C22H26N4O3/c1-16(27)25-9-7-18(8-10-25)11-19-13-23-14-21(24-19)26-20(15-29-22(26)28)12-17-5-3-2-4-6-17/h2-6,13-14,18,20H,7-12,15H2,1H3/t20-/m0/s1
InChIKeyYCGCGDNVEARZSC-FQEVSTJZSA-N
MW394.48 g/mol
LogP2.85
Rot. Bonds5

About (4S)-3-[6-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]-4-benzyl-1,3-oxazolidin-2-one

(4S)-3-[6-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]-4-benzyl-1,3-oxazolidin-2-one (PubChem CID 125020370) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is (4S)-3-[6-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]-4-benzyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[6-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]-4-benzyl-1,3-oxazolidin-2-one
PubChem CID125020370
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name(4S)-3-[6-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]-4-benzyl-1,3-oxazolidin-2-one
SMILESCC(=O)N1CCC(Cc2cncc(N3C(=O)OC[C@@H]3Cc3ccccc3)n2)CC1
InChIInChI=1S/C22H26N4O3/c1-16(27)25-9-7-18(8-10-25)11-19-13-23-14-21(24-19)26-20(15-29-22(26)28)12-17-5-3-2-4-6-17/h2-6,13-14,18,20H,7-12,15H2,1H3/t20-/m0/s1
InChIKeyYCGCGDNVEARZSC-FQEVSTJZSA-N
XLogP2.85
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4S)-3-[6-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]-4-benzyl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4S)-3-[6-(1-acetylpiperidin-4-yl)-2-methylpyrimidin-4-yl]-4-benzyl-1,3-oxazolidin-2-one
CID 124961496
(4R)-3-[6-(1-acetylpiperidin-4-yl)-2-methylpyrimidin-4-yl]-4-benzyl-1,3-oxazolidin-2-one
CID 124961497
1-[4-[(6-benzylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 95820834
(4R)-3-[6-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]methyl]pyrazin-2-yl]-4-methyl-1,3-oxazolidin-2-one
CID 124951744
(4S)-4-benzyl-3-[5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-oxazolidin-2-one
CID 125006428
1-[4-[(6-phenylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 95820935
3-[5-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]-4-methyl-1,3-oxazolidin-2-one
CID 110099031
(4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one
CID 735929
(4S)-4-benzyl-3-[6-(1-methylpiperidin-4-yl)-2-pyridinyl]-1,3-oxazolidin-2-one
CID 124994123
[6-(4-benzylpiperidin-1-yl)pyrazin-2-yl]methanamine
CID 66456001
4-benzyl-3-[5-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one
CID 110099004
4-benzyl-3-[1-(6-bromopyridine-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3712584

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[6-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]-4-benzyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[6-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]-4-benzyl-1,3-oxazolidin-2-one (CID 125020370) is (4S)-3-[6-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]-4-benzyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[6-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]-4-benzyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[6-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]-4-benzyl-1,3-oxazolidin-2-one is CC(=O)N1CCC(Cc2cncc(N3C(=O)OC[C@@H]3Cc3ccccc3)n2)CC1.
What is the InChIKey of (4S)-3-[6-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]-4-benzyl-1,3-oxazolidin-2-one?
The InChIKey is YCGCGDNVEARZSC-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-16(27)25-9-7-18(8-10-25)11-19-13-23-14-21(24-19)26-20(15-29-22(26)28)12-17-5-3-2-4-6-17/h2-6,13-14,18,20H,7-12,15H2,1H3/t20-/m0/s1.
What are the key properties of (4S)-3-[6-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]-4-benzyl-1,3-oxazolidin-2-one?
(4S)-3-[6-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]-4-benzyl-1,3-oxazolidin-2-one has a molecular weight of 394.48 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[6-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]-4-benzyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 125020370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).