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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Related Compounds

N-cyclopentyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 17452485
4-(2-methoxyphenyl)-N-prop-1-en-2-ylpiperazine-1-carboxamide
CID 108910374
2-(2-methoxyanilino)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]benzamide
CID 124625314
cyclopentyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4084330
N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 16812474
4-(2-methoxyphenyl)-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperazine-1-carboxamide
CID 108875887
5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 14053707
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 41106609
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
N-butyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 6468080
N-cyclopropyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113077668
4-(2-methoxyphenyl)-N-(1-methylsulfinylpropan-2-yl)piperazine-1-carboxamide
CID 146132273

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).