2-[4-[2-amino-3-(4-fluorophenyl)propanoyl]-3-(methoxymethyl)piperazin-1-yl]-3-(4-chlorophenyl)butanamide

C25H32ClFN4O3 — CID 91378804

IUPAC2-[4-[2-amino-3-(4-fluorophenyl)propanoyl]-3-(methoxymethyl)piperazin-1-yl]-3-(4-chlorophenyl)butanamide
SMILESCOCC1CN(C(C(N)=O)C(C)c2ccc(Cl)cc2)CCN1C(=O)C(N)Cc1ccc(F)cc1
InChIInChI=1S/C25H32ClFN4O3/c1-16(18-5-7-19(26)8-6-18)23(24(29)32)30-11-12-31(21(14-30)15-34-2)25(33)22(28)13-17-3-9-20(27)10-4-17/h3-10,16,21-23H,11-15,28H2,1-2H3,(H2,29,32)
InChIKeyGEJZLQSLKCQLRT-UHFFFAOYSA-N
MW491.01 g/mol
LogP2.17
Rot. Bonds9

About 2-[4-[2-amino-3-(4-fluorophenyl)propanoyl]-3-(methoxymethyl)piperazin-1-yl]-3-(4-chlorophenyl)butanamide

2-[4-[2-amino-3-(4-fluorophenyl)propanoyl]-3-(methoxymethyl)piperazin-1-yl]-3-(4-chlorophenyl)butanamide (PubChem CID 91378804) has the molecular formula C25H32ClFN4O3 and a molecular weight of 491.01 g/mol. Its IUPAC name is 2-[4-[2-amino-3-(4-fluorophenyl)propanoyl]-3-(methoxymethyl)piperazin-1-yl]-3-(4-chlorophenyl)butanamide.

Molecular Properties

Compound Name2-[4-[2-amino-3-(4-fluorophenyl)propanoyl]-3-(methoxymethyl)piperazin-1-yl]-3-(4-chlorophenyl)butanamide
PubChem CID91378804
Molecular FormulaC25H32ClFN4O3
Molecular Weight491.01 g/mol
Exact Mass490.21
IUPAC Name2-[4-[2-amino-3-(4-fluorophenyl)propanoyl]-3-(methoxymethyl)piperazin-1-yl]-3-(4-chlorophenyl)butanamide
SMILESCOCC1CN(C(C(N)=O)C(C)c2ccc(Cl)cc2)CCN1C(=O)C(N)Cc1ccc(F)cc1
InChIInChI=1S/C25H32ClFN4O3/c1-16(18-5-7-19(26)8-6-18)23(24(29)32)30-11-12-31(21(14-30)15-34-2)25(33)22(28)13-17-3-9-20(27)10-4-17/h3-10,16,21-23H,11-15,28H2,1-2H3,(H2,29,32)
InChIKeyGEJZLQSLKCQLRT-UHFFFAOYSA-N
XLogP2.17
TPSA101.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.01
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[2-amino-3-(4-fluorophenyl)propanoyl]-3-(methoxymethyl)piperazin-1-yl]-3-(4-chlorophenyl)butanamide 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-[2-amino-3-(4-chlorophenyl)propanoyl]-3-(methoxymethyl)piperazin-1-yl]-3-(2,4-dichlorophenyl)butanamide
CID 90834868
2-[4-[2-amino-3-(4-fluorophenyl)propanoyl]-3-ethylpiperazin-1-yl]-3-naphthalen-2-ylbutanamide
CID 91142455
2-[4-[2-amino-3-(4-fluorophenyl)propanoyl]-3-propylpiperazin-1-yl]-3-(3-fluorophenyl)butanamide
CID 90986146
N-[1-[4-[3-(4-chlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-2-(methoxymethyl)piperazin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1-(methylamino)cyclopropane-1-carboxamide
CID 10483494
[2-[4-[2-amino-3-(4-fluorophenyl)propanoyl]-3-[(2-methylpropan-2-yl)oxymethyl]piperazin-1-yl]-3-phenylpropyl] acetate
CID 130304203
2-[4-[2-amino-3-(4-fluorophenyl)propanoyl]-2-oxo-3-propylpiperazin-1-yl]-3-(4-cyanophenyl)butanamide
CID 91105417
N-[2-[4-[2-amino-3-(4-fluorophenyl)propanoyl]-3-propylpiperazin-1-yl]-3-(4-chlorophenyl)propyl]-2,2,2-trifluoro-N-(2-fluoroethyl)acetamide
CID 87900648
1-[(2S)-4-[(4-fluorophenyl)methyl]-2-(methoxymethyl)piperazin-1-yl]ethanone
CID 141137845
(2S)-2-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 97261025
2-amino-N-[1-[4-(1-amino-3-naphthalen-2-yl-1-oxopropan-2-yl)-2-ethylpiperazin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-2-methylpropanamide;2-[4-[2-amino-3-(4-chlorophenyl)propanoyl]-3-methylpiperazin-1-yl]-N-methyl-3-naphthalen-2-ylpropanamide;1-amino-N-[3-(4-fluorophenyl)-1-[2-(methoxymethyl)-4-[1-(methylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]piperazin-1-yl]-1-oxopropan-2-yl]cyclopropane-1-carboxamide;2-[4-(2-amino-3-naphthalen-2-ylpropanoyl)-3-propylpiperazin-1-yl]-3-(4-chlorophenyl)-N-methylpropanamide
CID 165105116
3-(4-chlorophenyl)-N-(diaminomethylidene)-2-(4-fluorophenyl)propanamide
CID 90028430
2-amino-3-(4-chlorophenyl)-1-(4-iodopiperazin-1-yl)propan-1-one
CID 143338881

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-amino-3-(4-fluorophenyl)propanoyl]-3-(methoxymethyl)piperazin-1-yl]-3-(4-chlorophenyl)butanamide?
The IUPAC name of 2-[4-[2-amino-3-(4-fluorophenyl)propanoyl]-3-(methoxymethyl)piperazin-1-yl]-3-(4-chlorophenyl)butanamide (CID 91378804) is 2-[4-[2-amino-3-(4-fluorophenyl)propanoyl]-3-(methoxymethyl)piperazin-1-yl]-3-(4-chlorophenyl)butanamide.
What is the SMILES notation for 2-[4-[2-amino-3-(4-fluorophenyl)propanoyl]-3-(methoxymethyl)piperazin-1-yl]-3-(4-chlorophenyl)butanamide?
The canonical SMILES for 2-[4-[2-amino-3-(4-fluorophenyl)propanoyl]-3-(methoxymethyl)piperazin-1-yl]-3-(4-chlorophenyl)butanamide is COCC1CN(C(C(N)=O)C(C)c2ccc(Cl)cc2)CCN1C(=O)C(N)Cc1ccc(F)cc1.
What is the InChIKey of 2-[4-[2-amino-3-(4-fluorophenyl)propanoyl]-3-(methoxymethyl)piperazin-1-yl]-3-(4-chlorophenyl)butanamide?
The InChIKey is GEJZLQSLKCQLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32ClFN4O3/c1-16(18-5-7-19(26)8-6-18)23(24(29)32)30-11-12-31(21(14-30)15-34-2)25(33)22(28)13-17-3-9-20(27)10-4-17/h3-10,16,21-23H,11-15,28H2,1-2H3,(H2,29,32).
What are the key properties of 2-[4-[2-amino-3-(4-fluorophenyl)propanoyl]-3-(methoxymethyl)piperazin-1-yl]-3-(4-chlorophenyl)butanamide?
2-[4-[2-amino-3-(4-fluorophenyl)propanoyl]-3-(methoxymethyl)piperazin-1-yl]-3-(4-chlorophenyl)butanamide has a molecular weight of 491.01 g/mol, XLogP of 2.17, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-amino-3-(4-fluorophenyl)propanoyl]-3-(methoxymethyl)piperazin-1-yl]-3-(4-chlorophenyl)butanamide is sourced from PubChem (CID 91378804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).