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

C25H32N8O4 — CID 11295141

IUPACN-[[(5S)-2-oxo-3-[6-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)piperazin-1-yl]-3-pyridinyl]-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)N4CCN(c5ccccn5)CC4)CC3)nc2)C(=O)O1
InChIInChI=1S/C25H32N8O4/c1-19(34)27-17-21-18-33(25(36)37-21)20-5-6-23(28-16-20)30-10-14-32(15-11-30)24(35)31-12-8-29(9-13-31)22-4-2-3-7-26-22/h2-7,16,21H,8-15,17-18H2,1H3,(H,27,34)/t21-/m0/s1
InChIKeyHSNPSRMFQPRJEL-NRFANRHFSA-N
MW508.58 g/mol
LogP1.00
Rot. Bonds5

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

N-[[(5S)-2-oxo-3-[6-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)piperazin-1-yl]-3-pyridinyl]-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 11295141) has the molecular formula C25H32N8O4 and a molecular weight of 508.58 g/mol. Its IUPAC name is N-[[(5S)-2-oxo-3-[6-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)piperazin-1-yl]-3-pyridinyl]-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-2-oxo-3-[6-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)piperazin-1-yl]-3-pyridinyl]-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID11295141
Molecular FormulaC25H32N8O4
Molecular Weight508.58 g/mol
Exact Mass508.25
IUPAC NameN-[[(5S)-2-oxo-3-[6-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)piperazin-1-yl]-3-pyridinyl]-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)N4CCN(c5ccccn5)CC4)CC3)nc2)C(=O)O1
InChIInChI=1S/C25H32N8O4/c1-19(34)27-17-21-18-33(25(36)37-21)20-5-6-23(28-16-20)30-10-14-32(15-11-30)24(35)31-12-8-29(9-13-31)22-4-2-3-7-26-22/h2-7,16,21H,8-15,17-18H2,1H3,(H,27,34)/t21-/m0/s1
InChIKeyHSNPSRMFQPRJEL-NRFANRHFSA-N
XLogP1.00
TPSA114.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.58
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[(5S)-2-oxo-3-[6-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)piperazin-1-yl]-3-pyridinyl]-1,3-oxazolidin-5-yl]methyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-2-oxo-3-[6-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)piperazin-1-yl]-3-pyridinyl]-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-2-oxo-3-[6-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)piperazin-1-yl]-3-pyridinyl]-1,3-oxazolidin-5-yl]methyl]acetamide (CID 11295141) is N-[[(5S)-2-oxo-3-[6-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)piperazin-1-yl]-3-pyridinyl]-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-2-oxo-3-[6-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)piperazin-1-yl]-3-pyridinyl]-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-2-oxo-3-[6-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)piperazin-1-yl]-3-pyridinyl]-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)N4CCN(c5ccccn5)CC4)CC3)nc2)C(=O)O1.
What is the InChIKey of N-[[(5S)-2-oxo-3-[6-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)piperazin-1-yl]-3-pyridinyl]-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is HSNPSRMFQPRJEL-NRFANRHFSA-N. The full InChI is InChI=1S/C25H32N8O4/c1-19(34)27-17-21-18-33(25(36)37-21)20-5-6-23(28-16-20)30-10-14-32(15-11-30)24(35)31-12-8-29(9-13-31)22-4-2-3-7-26-22/h2-7,16,21H,8-15,17-18H2,1H3,(H,27,34)/t21-/m0/s1.
What are the key properties of N-[[(5S)-2-oxo-3-[6-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)piperazin-1-yl]-3-pyridinyl]-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-2-oxo-3-[6-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)piperazin-1-yl]-3-pyridinyl]-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 508.58 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-2-oxo-3-[6-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)piperazin-1-yl]-3-pyridinyl]-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 11295141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).