2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]-1-pyridinyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

C24H32N4O4 — CID 27451963

IUPAC2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]-1-pyridinyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCOc1cn(CC(=O)NC[C@@H]2CCCO2)c(CN2CCN(c3ccccc3)CC2)cc1=O
InChIInChI=1S/C24H32N4O4/c1-31-23-17-28(18-24(30)25-15-21-8-5-13-32-21)20(14-22(23)29)16-26-9-11-27(12-10-26)19-6-3-2-4-7-19/h2-4,6-7,14,17,21H,5,8-13,15-16,18H2,1H3,(H,25,30)/t21-/m0/s1
InChIKeyVHTUBVVIQRTPMT-NRFANRHFSA-N
MW440.54 g/mol
LogP1.47
Rot. Bonds8

About 2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]-1-pyridinyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]-1-pyridinyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 27451963) has the molecular formula C24H32N4O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is 2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]-1-pyridinyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]-1-pyridinyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID27451963
Molecular FormulaC24H32N4O4
Molecular Weight440.54 g/mol
Exact Mass440.24
IUPAC Name2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]-1-pyridinyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCOc1cn(CC(=O)NC[C@@H]2CCCO2)c(CN2CCN(c3ccccc3)CC2)cc1=O
InChIInChI=1S/C24H32N4O4/c1-31-23-17-28(18-24(30)25-15-21-8-5-13-32-21)20(14-22(23)29)16-26-9-11-27(12-10-26)19-6-3-2-4-7-19/h2-4,6-7,14,17,21H,5,8-13,15-16,18H2,1H3,(H,25,30)/t21-/m0/s1
InChIKeyVHTUBVVIQRTPMT-NRFANRHFSA-N
XLogP1.47
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]-1-pyridinyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

ethyl 4-[[2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]-1-pyridinyl]acetyl]amino]benzoate
CID 27651653
2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide
CID 18587735
2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]-1-pyridinyl]-N-(4-nitrophenyl)acetamide
CID 18566955
2-[5-methoxy-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-oxo-1-pyridinyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 18567001
2-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(4-methylphenyl)acetamide
CID 27505539
2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 91831331
2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 124852044
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 8703402
2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 90507559
2-[6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 41184730
2-[5-[(2-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide
CID 16852776
2-[5-methoxy-2-(morpholin-4-ylmethyl)-4-oxo-1-pyridinyl]-N-(3-methoxyphenyl)acetamide
CID 27444932

Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]-1-pyridinyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]-1-pyridinyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 27451963) is 2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]-1-pyridinyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]-1-pyridinyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]-1-pyridinyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is COc1cn(CC(=O)NC[C@@H]2CCCO2)c(CN2CCN(c3ccccc3)CC2)cc1=O.
What is the InChIKey of 2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]-1-pyridinyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is VHTUBVVIQRTPMT-NRFANRHFSA-N. The full InChI is InChI=1S/C24H32N4O4/c1-31-23-17-28(18-24(30)25-15-21-8-5-13-32-21)20(14-22(23)29)16-26-9-11-27(12-10-26)19-6-3-2-4-7-19/h2-4,6-7,14,17,21H,5,8-13,15-16,18H2,1H3,(H,25,30)/t21-/m0/s1.
What are the key properties of 2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]-1-pyridinyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]-1-pyridinyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 440.54 g/mol, XLogP of 1.47, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]-1-pyridinyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 27451963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).