2-[4-(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide

C20H34N4O4 — CID 55429131

IUPAC2-[4-(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN1CCN(C(=O)C2CC(=O)N(C3CCCC3)C2)CC1
InChIInChI=1S/C20H34N4O4/c1-28-12-4-7-21-18(25)15-22-8-10-23(11-9-22)20(27)16-13-19(26)24(14-16)17-5-2-3-6-17/h16-17H,2-15H2,1H3,(H,21,25)
InChIKeyHPAOZVICYQOREI-UHFFFAOYSA-N
MW394.52 g/mol
LogP0.07
Rot. Bonds8

About 2-[4-(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide

2-[4-(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide (PubChem CID 55429131) has the molecular formula C20H34N4O4 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-[4-(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[4-(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide
PubChem CID55429131
Molecular FormulaC20H34N4O4
Molecular Weight394.52 g/mol
Exact Mass394.26
IUPAC Name2-[4-(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN1CCN(C(=O)C2CC(=O)N(C3CCCC3)C2)CC1
InChIInChI=1S/C20H34N4O4/c1-28-12-4-7-21-18(25)15-22-8-10-23(11-9-22)20(27)16-13-19(26)24(14-16)17-5-2-3-6-17/h16-17H,2-15H2,1H3,(H,21,25)
InChIKeyHPAOZVICYQOREI-UHFFFAOYSA-N
XLogP0.07
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[4-(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)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-[4-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55575458
(3S)-1-cyclopropyl-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 94869872
(4S)-1-cyclopentyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9364634
(4R)-1-cyclopentyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9364632
(4S)-1-cyclopentyl-4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 9363484
N-(3-methoxypropyl)-2-[4-(1-propylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]acetamide
CID 55682910
1-cyclohexyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 4251317
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55432469
N-(2-methoxyethyl)-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]acetamide
CID 51072787
2-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55452649
(3S)-1-cyclopentyl-5-oxo-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 7030810
(3R)-1-cyclopentyl-5-oxo-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 7030812

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[4-(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide (CID 55429131) is 2-[4-(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[4-(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[4-(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CN1CCN(C(=O)C2CC(=O)N(C3CCCC3)C2)CC1.
What is the InChIKey of 2-[4-(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide?
The InChIKey is HPAOZVICYQOREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O4/c1-28-12-4-7-21-18(25)15-22-8-10-23(11-9-22)20(27)16-13-19(26)24(14-16)17-5-2-3-6-17/h16-17H,2-15H2,1H3,(H,21,25).
What are the key properties of 2-[4-(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide?
2-[4-(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide has a molecular weight of 394.52 g/mol, XLogP of 0.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 55429131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).