4-(2-methoxyphenyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)piperazine-1-carboxamide

C17H24N4O3 — CID 122568943

IUPAC4-(2-methoxyphenyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)piperazine-1-carboxamide
SMILESCOc1ccccc1N1CCN(C(=O)NC2CCN(C)C2=O)CC1
InChIInChI=1S/C17H24N4O3/c1-19-8-7-13(16(19)22)18-17(23)21-11-9-20(10-12-21)14-5-3-4-6-15(14)24-2/h3-6,13H,7-12H2,1-2H3,(H,18,23)
InChIKeyXIPOWOVAGIGHNR-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.76
Rot. Bonds3

About 4-(2-methoxyphenyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)piperazine-1-carboxamide

4-(2-methoxyphenyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)piperazine-1-carboxamide (PubChem CID 122568943) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)piperazine-1-carboxamide
PubChem CID122568943
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name4-(2-methoxyphenyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)piperazine-1-carboxamide
SMILESCOc1ccccc1N1CCN(C(=O)NC2CCN(C)C2=O)CC1
InChIInChI=1S/C17H24N4O3/c1-19-8-7-13(16(19)22)18-17(23)21-11-9-20(10-12-21)14-5-3-4-6-15(14)24-2/h3-6,13H,7-12H2,1-2H3,(H,18,23)
InChIKeyXIPOWOVAGIGHNR-UHFFFAOYSA-N
XLogP0.76
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-methoxyphenyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)piperazine-1-carboxamide (CID 122568943) is 4-(2-methoxyphenyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-methoxyphenyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-methoxyphenyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)piperazine-1-carboxamide is COc1ccccc1N1CCN(C(=O)NC2CCN(C)C2=O)CC1.
What is the InChIKey of 4-(2-methoxyphenyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)piperazine-1-carboxamide?
The InChIKey is XIPOWOVAGIGHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-19-8-7-13(16(19)22)18-17(23)21-11-9-20(10-12-21)14-5-3-4-6-15(14)24-2/h3-6,13H,7-12H2,1-2H3,(H,18,23).
What are the key properties of 4-(2-methoxyphenyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)piperazine-1-carboxamide?
4-(2-methoxyphenyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)piperazine-1-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 122568943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).