3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)butanamide;hydrochloride

C16H28ClF3N4O2 — CID 120813668

IUPAC3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)butanamide;hydrochloride
SMILESCC(C)C(C(=O)NCC(N1CCNCC1)C(F)(F)F)N1CCCC1=O.Cl
InChIInChI=1S/C16H27F3N4O2.ClH/c1-11(2)14(23-7-3-4-13(23)24)15(25)21-10-12(16(17,18)19)22-8-5-20-6-9-22;/h11-12,14,20H,3-10H2,1-2H3,(H,21,25);1H
InChIKeyLPVCSAWPKRVIAU-UHFFFAOYSA-N
MW400.87 g/mol
LogP1.01
Rot. Bonds6

About 3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)butanamide;hydrochloride

3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)butanamide;hydrochloride (PubChem CID 120813668) has the molecular formula C16H28ClF3N4O2 and a molecular weight of 400.87 g/mol. Its IUPAC name is 3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)butanamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)butanamide;hydrochloride
PubChem CID120813668
Molecular FormulaC16H28ClF3N4O2
Molecular Weight400.87 g/mol
Exact Mass400.19
IUPAC Name3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)butanamide;hydrochloride
SMILESCC(C)C(C(=O)NCC(N1CCNCC1)C(F)(F)F)N1CCCC1=O.Cl
InChIInChI=1S/C16H27F3N4O2.ClH/c1-11(2)14(23-7-3-4-13(23)24)15(25)21-10-12(16(17,18)19)22-8-5-20-6-9-22;/h11-12,14,20H,3-10H2,1-2H3,(H,21,25);1H
InChIKeyLPVCSAWPKRVIAU-UHFFFAOYSA-N
XLogP1.01
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.87
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)butanamide;hydrochloride 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

3-methyl-2-(2-oxopyrrolidin-1-yl)-N-piperidin-4-ylbutanamide
CID 119389775
2-(2-oxoazocan-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120811988
2-(2-oxoazocan-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120811989
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 120891077
2,2-dimethyl-N-[1-oxo-1-[(3,3,3-trifluoro-2-piperazin-1-ylpropyl)amino]propan-2-yl]propanamide
CID 120813369
3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119558817
2-phenylsulfanyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 120813428
2-methylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120812954
N-(3-hydroxy-4-methylpentyl)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 111461395
N-[2-(ethylamino)ethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 119508806
2-propylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120810714
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutanecarboxamide;hydrochloride
CID 120813116

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)butanamide;hydrochloride?
The IUPAC name of 3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)butanamide;hydrochloride (CID 120813668) is 3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)butanamide;hydrochloride.
What is the SMILES notation for 3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)butanamide;hydrochloride?
The canonical SMILES for 3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)butanamide;hydrochloride is CC(C)C(C(=O)NCC(N1CCNCC1)C(F)(F)F)N1CCCC1=O.Cl.
What is the InChIKey of 3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)butanamide;hydrochloride?
The InChIKey is LPVCSAWPKRVIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F3N4O2.ClH/c1-11(2)14(23-7-3-4-13(23)24)15(25)21-10-12(16(17,18)19)22-8-5-20-6-9-22;/h11-12,14,20H,3-10H2,1-2H3,(H,21,25);1H.
What are the key properties of 3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)butanamide;hydrochloride?
3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)butanamide;hydrochloride has a molecular weight of 400.87 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)butanamide;hydrochloride is sourced from PubChem (CID 120813668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).