2-[4-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]piperazin-1-yl]-N-phenylacetamide

C24H28N4O3 — CID 39155559

IUPAC2-[4-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]piperazin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCN(C(=O)c2cccc(CN3CCCC3=O)c2)CC1)Nc1ccccc1
InChIInChI=1S/C24H28N4O3/c29-22(25-21-8-2-1-3-9-21)18-26-12-14-27(15-13-26)24(31)20-7-4-6-19(16-20)17-28-11-5-10-23(28)30/h1-4,6-9,16H,5,10-15,17-18H2,(H,25,29)
InChIKeyYSXVKPATLYLHJW-UHFFFAOYSA-N
MW420.51 g/mol
LogP2.21
Rot. Bonds6

About 2-[4-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]piperazin-1-yl]-N-phenylacetamide

2-[4-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]piperazin-1-yl]-N-phenylacetamide (PubChem CID 39155559) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 2-[4-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]piperazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]piperazin-1-yl]-N-phenylacetamide
PubChem CID39155559
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name2-[4-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]piperazin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCN(C(=O)c2cccc(CN3CCCC3=O)c2)CC1)Nc1ccccc1
InChIInChI=1S/C24H28N4O3/c29-22(25-21-8-2-1-3-9-21)18-26-12-14-27(15-13-26)24(31)20-7-4-6-19(16-20)17-28-11-5-10-23(28)30/h1-4,6-9,16H,5,10-15,17-18H2,(H,25,29)
InChIKeyYSXVKPATLYLHJW-UHFFFAOYSA-N
XLogP2.21
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[3-(4-benzhydrylpiperazine-1-carbonyl)phenyl]methyl]pyrrolidin-2-one
CID 17453970
1-[[3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 42920451
1-[[3-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 9210040
2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 34432781
1-[[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 9208433
1-[[3-(4-pyridin-4-ylpiperazine-1-carbonyl)phenyl]methyl]pyrrolidin-2-one
CID 9255772
N-[3-[4-(2-anilino-2-oxoethyl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 31349274
1-[[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 9034189
1-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]piperidine-3-carboxylic acid
CID 45340369
N-(2-benzamidoethyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 38231106
2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-phenylacetamide
CID 31149355
1-[[4-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 32759097

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]piperazin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]piperazin-1-yl]-N-phenylacetamide (CID 39155559) is 2-[4-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]piperazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]piperazin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]piperazin-1-yl]-N-phenylacetamide is O=C(CN1CCN(C(=O)c2cccc(CN3CCCC3=O)c2)CC1)Nc1ccccc1.
What is the InChIKey of 2-[4-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]piperazin-1-yl]-N-phenylacetamide?
The InChIKey is YSXVKPATLYLHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c29-22(25-21-8-2-1-3-9-21)18-26-12-14-27(15-13-26)24(31)20-7-4-6-19(16-20)17-28-11-5-10-23(28)30/h1-4,6-9,16H,5,10-15,17-18H2,(H,25,29).
What are the key properties of 2-[4-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]piperazin-1-yl]-N-phenylacetamide?
2-[4-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]piperazin-1-yl]-N-phenylacetamide has a molecular weight of 420.51 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]piperazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 39155559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).