N-[1-(methoxymethyl)cyclopentyl]-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide

C21H31N3O3 — CID 56911904

IUPACN-[1-(methoxymethyl)cyclopentyl]-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide
SMILESCOCC1(NC(=O)CC2C(=O)NCCN2CCc2ccccc2)CCCC1
InChIInChI=1S/C21H31N3O3/c1-27-16-21(10-5-6-11-21)23-19(25)15-18-20(26)22-12-14-24(18)13-9-17-7-3-2-4-8-17/h2-4,7-8,18H,5-6,9-16H2,1H3,(H,22,26)(H,23,25)
InChIKeyVSPQQAMTJCFKJP-UHFFFAOYSA-N
MW373.50 g/mol
LogP1.50
Rot. Bonds8

About N-[1-(methoxymethyl)cyclopentyl]-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide

N-[1-(methoxymethyl)cyclopentyl]-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide (PubChem CID 56911904) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[1-(methoxymethyl)cyclopentyl]-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-(methoxymethyl)cyclopentyl]-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide
PubChem CID56911904
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC NameN-[1-(methoxymethyl)cyclopentyl]-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide
SMILESCOCC1(NC(=O)CC2C(=O)NCCN2CCc2ccccc2)CCCC1
InChIInChI=1S/C21H31N3O3/c1-27-16-21(10-5-6-11-21)23-19(25)15-18-20(26)22-12-14-24(18)13-9-17-7-3-2-4-8-17/h2-4,7-8,18H,5-6,9-16H2,1H3,(H,22,26)(H,23,25)
InChIKeyVSPQQAMTJCFKJP-UHFFFAOYSA-N
XLogP1.50
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(methoxymethyl)cyclopentyl]-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide 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

2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(1-propylcyclopropyl)acetamide
CID 56912365
N-cyclopentyl-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide
CID 45180827
methyl 4-[[[2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetyl]amino]methyl]benzoate
CID 45205001
N-(2-methoxy-2-methylpropyl)-2-[(2S)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide
CID 95727195
N-(2-methylbutan-2-yl)-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide
CID 56915595
methyl 2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetate
CID 34534079
N-(2-methylsulfanylethyl)-2-[(2R)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide
CID 26398297
N-[(1-hydroxycyclohexyl)methyl]-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 45237223
N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methyl-2-[(2R)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide
CID 95707080
2-[(2S)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(2-pyridin-3-yloxyethyl)acetamide
CID 42198802
methyl 2-[methyl-[2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetyl]amino]acetate
CID 45237645
N-(1-hydroxy-2-methylpropan-2-yl)-2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 95729853

Frequently Asked Questions

What is the IUPAC name of N-[1-(methoxymethyl)cyclopentyl]-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide?
The IUPAC name of N-[1-(methoxymethyl)cyclopentyl]-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide (CID 56911904) is N-[1-(methoxymethyl)cyclopentyl]-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide.
What is the SMILES notation for N-[1-(methoxymethyl)cyclopentyl]-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide?
The canonical SMILES for N-[1-(methoxymethyl)cyclopentyl]-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide is COCC1(NC(=O)CC2C(=O)NCCN2CCc2ccccc2)CCCC1.
What is the InChIKey of N-[1-(methoxymethyl)cyclopentyl]-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide?
The InChIKey is VSPQQAMTJCFKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-27-16-21(10-5-6-11-21)23-19(25)15-18-20(26)22-12-14-24(18)13-9-17-7-3-2-4-8-17/h2-4,7-8,18H,5-6,9-16H2,1H3,(H,22,26)(H,23,25).
What are the key properties of N-[1-(methoxymethyl)cyclopentyl]-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide?
N-[1-(methoxymethyl)cyclopentyl]-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide has a molecular weight of 373.50 g/mol, XLogP of 1.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(methoxymethyl)cyclopentyl]-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide is sourced from PubChem (CID 56911904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).