N-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-4-carboxamide

C21H25N5O4 — CID 56754578

IUPACN-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCOc1ccccc1N1CCN(c2ncccc2CNC(=O)C2COC(=O)N2)CC1
InChIInChI=1S/C21H25N5O4/c1-29-18-7-3-2-6-17(18)25-9-11-26(12-10-25)19-15(5-4-8-22-19)13-23-20(27)16-14-30-21(28)24-16/h2-8,16H,9-14H2,1H3,(H,23,27)(H,24,28)
InChIKeyUFUGRJJLIMZZDC-UHFFFAOYSA-N
MW411.46 g/mol
LogP1.14
Rot. Bonds6

About N-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-4-carboxamide

N-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 56754578) has the molecular formula C21H25N5O4 and a molecular weight of 411.46 g/mol. Its IUPAC name is N-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
PubChem CID56754578
Molecular FormulaC21H25N5O4
Molecular Weight411.46 g/mol
Exact Mass411.19
IUPAC NameN-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCOc1ccccc1N1CCN(c2ncccc2CNC(=O)C2COC(=O)N2)CC1
InChIInChI=1S/C21H25N5O4/c1-29-18-7-3-2-6-17(18)25-9-11-26(12-10-25)19-15(5-4-8-22-19)13-23-20(27)16-14-30-21(28)24-16/h2-8,16H,9-14H2,1H3,(H,23,27)(H,24,28)
InChIKeyUFUGRJJLIMZZDC-UHFFFAOYSA-N
XLogP1.14
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-4-carboxamide?
The IUPAC name of N-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-4-carboxamide (CID 56754578) is N-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for N-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for N-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-4-carboxamide is COc1ccccc1N1CCN(c2ncccc2CNC(=O)C2COC(=O)N2)CC1.
What is the InChIKey of N-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-4-carboxamide?
The InChIKey is UFUGRJJLIMZZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O4/c1-29-18-7-3-2-6-17(18)25-9-11-26(12-10-25)19-15(5-4-8-22-19)13-23-20(27)16-14-30-21(28)24-16/h2-8,16H,9-14H2,1H3,(H,23,27)(H,24,28).
What are the key properties of N-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-4-carboxamide?
N-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 411.46 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 56754578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).