4-cyclohexyl-2,3-dioxo-N-[2-oxo-2-[(2-oxoazetidin-3-yl)amino]-1-phenylethyl]piperazine-1-carboxamide

C22H27N5O5 — CID 21244878

IUPAC4-cyclohexyl-2,3-dioxo-N-[2-oxo-2-[(2-oxoazetidin-3-yl)amino]-1-phenylethyl]piperazine-1-carboxamide
SMILESO=C1NCC1NC(=O)C(NC(=O)N1CCN(C2CCCCC2)C(=O)C1=O)c1ccccc1
InChIInChI=1S/C22H27N5O5/c28-18-16(13-23-18)24-19(29)17(14-7-3-1-4-8-14)25-22(32)27-12-11-26(20(30)21(27)31)15-9-5-2-6-10-15/h1,3-4,7-8,15-17H,2,5-6,9-13H2,(H,23,28)(H,24,29)(H,25,32)
InChIKeyZYFIPLMTQKMFRZ-UHFFFAOYSA-N
MW441.49 g/mol
LogP0.06
Rot. Bonds5

About 4-cyclohexyl-2,3-dioxo-N-[2-oxo-2-[(2-oxoazetidin-3-yl)amino]-1-phenylethyl]piperazine-1-carboxamide

4-cyclohexyl-2,3-dioxo-N-[2-oxo-2-[(2-oxoazetidin-3-yl)amino]-1-phenylethyl]piperazine-1-carboxamide (PubChem CID 21244878) has the molecular formula C22H27N5O5 and a molecular weight of 441.49 g/mol. Its IUPAC name is 4-cyclohexyl-2,3-dioxo-N-[2-oxo-2-[(2-oxoazetidin-3-yl)amino]-1-phenylethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-cyclohexyl-2,3-dioxo-N-[2-oxo-2-[(2-oxoazetidin-3-yl)amino]-1-phenylethyl]piperazine-1-carboxamide
PubChem CID21244878
Molecular FormulaC22H27N5O5
Molecular Weight441.49 g/mol
Exact Mass441.20
IUPAC Name4-cyclohexyl-2,3-dioxo-N-[2-oxo-2-[(2-oxoazetidin-3-yl)amino]-1-phenylethyl]piperazine-1-carboxamide
SMILESO=C1NCC1NC(=O)C(NC(=O)N1CCN(C2CCCCC2)C(=O)C1=O)c1ccccc1
InChIInChI=1S/C22H27N5O5/c28-18-16(13-23-18)24-19(29)17(14-7-3-1-4-8-14)25-22(32)27-12-11-26(20(30)21(27)31)15-9-5-2-6-10-15/h1,3-4,7-8,15-17H,2,5-6,9-13H2,(H,23,28)(H,24,29)(H,25,32)
InChIKeyZYFIPLMTQKMFRZ-UHFFFAOYSA-N
XLogP0.06
TPSA127.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-cyclohexyl-2,3-dioxo-N-[2-oxo-2-[(2-oxoazetidin-3-yl)amino]-1-phenylethyl]piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-2,3-dioxo-N-[2-oxo-2-[(2-oxoazetidin-3-yl)amino]-1-phenylethyl]piperazine-1-carboxamide?
The IUPAC name of 4-cyclohexyl-2,3-dioxo-N-[2-oxo-2-[(2-oxoazetidin-3-yl)amino]-1-phenylethyl]piperazine-1-carboxamide (CID 21244878) is 4-cyclohexyl-2,3-dioxo-N-[2-oxo-2-[(2-oxoazetidin-3-yl)amino]-1-phenylethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-cyclohexyl-2,3-dioxo-N-[2-oxo-2-[(2-oxoazetidin-3-yl)amino]-1-phenylethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-cyclohexyl-2,3-dioxo-N-[2-oxo-2-[(2-oxoazetidin-3-yl)amino]-1-phenylethyl]piperazine-1-carboxamide is O=C1NCC1NC(=O)C(NC(=O)N1CCN(C2CCCCC2)C(=O)C1=O)c1ccccc1.
What is the InChIKey of 4-cyclohexyl-2,3-dioxo-N-[2-oxo-2-[(2-oxoazetidin-3-yl)amino]-1-phenylethyl]piperazine-1-carboxamide?
The InChIKey is ZYFIPLMTQKMFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O5/c28-18-16(13-23-18)24-19(29)17(14-7-3-1-4-8-14)25-22(32)27-12-11-26(20(30)21(27)31)15-9-5-2-6-10-15/h1,3-4,7-8,15-17H,2,5-6,9-13H2,(H,23,28)(H,24,29)(H,25,32).
What are the key properties of 4-cyclohexyl-2,3-dioxo-N-[2-oxo-2-[(2-oxoazetidin-3-yl)amino]-1-phenylethyl]piperazine-1-carboxamide?
4-cyclohexyl-2,3-dioxo-N-[2-oxo-2-[(2-oxoazetidin-3-yl)amino]-1-phenylethyl]piperazine-1-carboxamide has a molecular weight of 441.49 g/mol, XLogP of 0.06, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-2,3-dioxo-N-[2-oxo-2-[(2-oxoazetidin-3-yl)amino]-1-phenylethyl]piperazine-1-carboxamide is sourced from PubChem (CID 21244878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).