4-(2-oxo-2-pyrrolidin-1-ylacetyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperazine-1-carboxamide

C21H27N5O4 — CID 55816776

IUPAC4-(2-oxo-2-pyrrolidin-1-ylacetyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2=O)cc1)N1CCN(C(=O)C(=O)N2CCCC2)CC1
InChIInChI=1S/C21H27N5O4/c27-18-4-3-11-26(18)17-7-5-16(6-8-17)22-21(30)25-14-12-24(13-15-25)20(29)19(28)23-9-1-2-10-23/h5-8H,1-4,9-15H2,(H,22,30)
InChIKeySSGGSMZYGYCCKY-UHFFFAOYSA-N
MW413.48 g/mol
LogP1.11
Rot. Bonds2

About 4-(2-oxo-2-pyrrolidin-1-ylacetyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperazine-1-carboxamide

4-(2-oxo-2-pyrrolidin-1-ylacetyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperazine-1-carboxamide (PubChem CID 55816776) has the molecular formula C21H27N5O4 and a molecular weight of 413.48 g/mol. Its IUPAC name is 4-(2-oxo-2-pyrrolidin-1-ylacetyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-oxo-2-pyrrolidin-1-ylacetyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperazine-1-carboxamide
PubChem CID55816776
Molecular FormulaC21H27N5O4
Molecular Weight413.48 g/mol
Exact Mass413.21
IUPAC Name4-(2-oxo-2-pyrrolidin-1-ylacetyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2=O)cc1)N1CCN(C(=O)C(=O)N2CCCC2)CC1
InChIInChI=1S/C21H27N5O4/c27-18-4-3-11-26(18)17-7-5-16(6-8-17)22-21(30)25-14-12-24(13-15-25)20(29)19(28)23-9-1-2-10-23/h5-8H,1-4,9-15H2,(H,22,30)
InChIKeySSGGSMZYGYCCKY-UHFFFAOYSA-N
XLogP1.11
TPSA93.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436
N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarboxamide
CID 7686385
5-methyl-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 167901294
3-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 18072161
4-(2-oxopyrrolidin-1-yl)-N-(4-piperidin-1-ylphenyl)benzamide
CID 7922377
2-chloro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686374
[3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl] pyrrolidine-1-carbodithioate
CID 8694503
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
N-(4-pyrrolidin-1-ylphenyl)azepane-1-carboxamide
CID 108991070
4-acetamido-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 78788340
2-(azocan-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 71899235
4-(pyrrolidine-1-carbonylamino)benzoic acid
CID 39732858

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-2-pyrrolidin-1-ylacetyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-oxo-2-pyrrolidin-1-ylacetyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperazine-1-carboxamide (CID 55816776) is 4-(2-oxo-2-pyrrolidin-1-ylacetyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-oxo-2-pyrrolidin-1-ylacetyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-oxo-2-pyrrolidin-1-ylacetyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperazine-1-carboxamide is O=C(Nc1ccc(N2CCCC2=O)cc1)N1CCN(C(=O)C(=O)N2CCCC2)CC1.
What is the InChIKey of 4-(2-oxo-2-pyrrolidin-1-ylacetyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperazine-1-carboxamide?
The InChIKey is SSGGSMZYGYCCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O4/c27-18-4-3-11-26(18)17-7-5-16(6-8-17)22-21(30)25-14-12-24(13-15-25)20(29)19(28)23-9-1-2-10-23/h5-8H,1-4,9-15H2,(H,22,30).
What are the key properties of 4-(2-oxo-2-pyrrolidin-1-ylacetyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperazine-1-carboxamide?
4-(2-oxo-2-pyrrolidin-1-ylacetyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperazine-1-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-2-pyrrolidin-1-ylacetyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 55816776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).