N-[[(5S)-3-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C17H23N5O4 — CID 11739921

IUPACN-[[(5S)-3-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(C)=O)CC3)nc2)C(=O)O1
InChIInChI=1S/C17H23N5O4/c1-12(23)18-10-15-11-22(17(25)26-15)14-3-4-16(19-9-14)21-7-5-20(6-8-21)13(2)24/h3-4,9,15H,5-8,10-11H2,1-2H3,(H,18,23)/t15-/m0/s1
InChIKeyPGCXVPQGEOXEND-HNNXBMFYSA-N
MW361.40 g/mol
LogP0.21
Rot. Bonds4

About N-[[(5S)-3-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 11739921) has the molecular formula C17H23N5O4 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-[[(5S)-3-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID11739921
Molecular FormulaC17H23N5O4
Molecular Weight361.40 g/mol
Exact Mass361.18
IUPAC NameN-[[(5S)-3-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(C)=O)CC3)nc2)C(=O)O1
InChIInChI=1S/C17H23N5O4/c1-12(23)18-10-15-11-22(17(25)26-15)14-3-4-16(19-9-14)21-7-5-20(6-8-21)13(2)24/h3-4,9,15H,5-8,10-11H2,1-2H3,(H,18,23)/t15-/m0/s1
InChIKeyPGCXVPQGEOXEND-HNNXBMFYSA-N
XLogP0.21
TPSA95.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(5S)-3-[6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 169098098
N-[[(5S)-2-oxo-3-[6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-3-pyridinyl]-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10435143
N-[[3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 68938793
N-[[(5S)-2-oxo-3-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22872368
O-methyl N-[[(5S)-3-[6-[4-(1H-imidazole-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamothioate
CID 11464972
O-methyl N-[[(5S)-2-oxo-3-(6-piperazin-1-yl-3-pyridinyl)-1,3-oxazolidin-5-yl]methyl]carbamothioate
CID 11552073
O-methyl N-[[(5S)-2-oxo-3-[6-[4-(thiophene-2-carbothioyl)piperazin-1-yl]-3-pyridinyl]-1,3-oxazolidin-5-yl]methyl]carbamothioate
CID 11352030
N-[[(5S)-3-[4-[6-(4-acetamidopiperidin-1-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67551168
N-[[3-[4-(4-hydroxypiperidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 68698825
N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 20666078
N-[[(5R)-3-[4-(hydroxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54472628
N-[[2-oxo-3-(4-piperazin-1-ylphenyl)-1,3-oxazolidin-5-yl]methyl]acetamide
CID 21462605

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 11739921) is N-[[(5S)-3-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(C)=O)CC3)nc2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is PGCXVPQGEOXEND-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23N5O4/c1-12(23)18-10-15-11-22(17(25)26-15)14-3-4-16(19-9-14)21-7-5-20(6-8-21)13(2)24/h3-4,9,15H,5-8,10-11H2,1-2H3,(H,18,23)/t15-/m0/s1.
What are the key properties of N-[[(5S)-3-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 361.40 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 11739921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).