pentyl 2-[1-[2-(2-methylphenyl)acetyl]-3-oxopiperazin-2-yl]acetate

C20H28N2O4 — CID 43877398

IUPACpentyl 2-[1-[2-(2-methylphenyl)acetyl]-3-oxopiperazin-2-yl]acetate
SMILESCCCCCOC(=O)CC1C(=O)NCCN1C(=O)Cc1ccccc1C
InChIInChI=1S/C20H28N2O4/c1-3-4-7-12-26-19(24)14-17-20(25)21-10-11-22(17)18(23)13-16-9-6-5-8-15(16)2/h5-6,8-9,17H,3-4,7,10-14H2,1-2H3,(H,21,25)
InChIKeyCMXVDDSAQAGTBF-UHFFFAOYSA-N
MW360.45 g/mol
LogP1.99
Rot. Bonds8

About pentyl 2-[1-[2-(2-methylphenyl)acetyl]-3-oxopiperazin-2-yl]acetate

pentyl 2-[1-[2-(2-methylphenyl)acetyl]-3-oxopiperazin-2-yl]acetate (PubChem CID 43877398) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is pentyl 2-[1-[2-(2-methylphenyl)acetyl]-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Namepentyl 2-[1-[2-(2-methylphenyl)acetyl]-3-oxopiperazin-2-yl]acetate
PubChem CID43877398
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Namepentyl 2-[1-[2-(2-methylphenyl)acetyl]-3-oxopiperazin-2-yl]acetate
SMILESCCCCCOC(=O)CC1C(=O)NCCN1C(=O)Cc1ccccc1C
InChIInChI=1S/C20H28N2O4/c1-3-4-7-12-26-19(24)14-17-20(25)21-10-11-22(17)18(23)13-16-9-6-5-8-15(16)2/h5-6,8-9,17H,3-4,7,10-14H2,1-2H3,(H,21,25)
InChIKeyCMXVDDSAQAGTBF-UHFFFAOYSA-N
XLogP1.99
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze pentyl 2-[1-[2-(2-methylphenyl)acetyl]-3-oxopiperazin-2-yl]acetate with MolForge

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

Launch Full Analysis

Related Compounds

decyl 2-[1-(2-naphthalen-1-ylacetyl)-3-oxopiperazin-2-yl]acetate
CID 17093892
pentyl 2-[1-(2-methylbenzoyl)-3-oxopiperazin-2-yl]acetate
CID 17073625
decyl 2-[1-[3-(2-chlorophenyl)propanoyl]-3-oxopiperazin-2-yl]acetate
CID 17179058
pentyl 2-(1-heptanoyl-3-oxopiperazin-2-yl)acetate
CID 54789180
3-ethyl-4-[2-(2-methylphenyl)acetyl]piperazin-2-one
CID 63601493
decyl 2-[1-[2-(2,3-dimethylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 17097880
dodecyl 2-[1-(2-bromoacetyl)-3-oxopiperazin-2-yl]acetate
CID 46736621
decyl 2-[1-[2-(4-methoxyphenyl)acetyl]-3-oxopiperazin-2-yl]acetate
CID 17093864
4-[2-(2-decoxy-2-oxoethyl)-3-oxopiperazin-1-yl]-4-oxobutanoic acid
CID 17093824
pentyl 2-[(2S)-1-(2-bromoacetyl)-3-oxopiperazin-2-yl]acetate
CID 93083224
decyl 2-[1-[2-(2-chlorophenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 17093891
butyl 2-[1-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]-3-oxopiperazin-2-yl]acetate
CID 54789910

Frequently Asked Questions

What is the IUPAC name of pentyl 2-[1-[2-(2-methylphenyl)acetyl]-3-oxopiperazin-2-yl]acetate?
The IUPAC name of pentyl 2-[1-[2-(2-methylphenyl)acetyl]-3-oxopiperazin-2-yl]acetate (CID 43877398) is pentyl 2-[1-[2-(2-methylphenyl)acetyl]-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for pentyl 2-[1-[2-(2-methylphenyl)acetyl]-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for pentyl 2-[1-[2-(2-methylphenyl)acetyl]-3-oxopiperazin-2-yl]acetate is CCCCCOC(=O)CC1C(=O)NCCN1C(=O)Cc1ccccc1C.
What is the InChIKey of pentyl 2-[1-[2-(2-methylphenyl)acetyl]-3-oxopiperazin-2-yl]acetate?
The InChIKey is CMXVDDSAQAGTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-3-4-7-12-26-19(24)14-17-20(25)21-10-11-22(17)18(23)13-16-9-6-5-8-15(16)2/h5-6,8-9,17H,3-4,7,10-14H2,1-2H3,(H,21,25).
What are the key properties of pentyl 2-[1-[2-(2-methylphenyl)acetyl]-3-oxopiperazin-2-yl]acetate?
pentyl 2-[1-[2-(2-methylphenyl)acetyl]-3-oxopiperazin-2-yl]acetate has a molecular weight of 360.45 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 2-[1-[2-(2-methylphenyl)acetyl]-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 43877398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).