2-[cyclopropyl-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]amino]-N-(2,6-dimethylphenyl)acetamide

C26H33FN4O2 — CID 84561922

IUPAC2-[cyclopropyl-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]amino]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)C1CC1
InChIInChI=1S/C26H33FN4O2/c1-19-4-3-5-20(2)26(19)28-24(32)18-31(23-10-11-23)13-12-25(33)30-16-14-29(15-17-30)22-8-6-21(27)7-9-22/h3-9,23H,10-18H2,1-2H3,(H,28,32)
InChIKeyNSLUOHONJIJXKV-UHFFFAOYSA-N
MW452.57 g/mol
LogP3.58
Rot. Bonds8

About 2-[cyclopropyl-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]amino]-N-(2,6-dimethylphenyl)acetamide

2-[cyclopropyl-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]amino]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 84561922) has the molecular formula C26H33FN4O2 and a molecular weight of 452.57 g/mol. Its IUPAC name is 2-[cyclopropyl-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]amino]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[cyclopropyl-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]amino]-N-(2,6-dimethylphenyl)acetamide
PubChem CID84561922
Molecular FormulaC26H33FN4O2
Molecular Weight452.57 g/mol
Exact Mass452.26
IUPAC Name2-[cyclopropyl-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]amino]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)C1CC1
InChIInChI=1S/C26H33FN4O2/c1-19-4-3-5-20(2)26(19)28-24(32)18-31(23-10-11-23)13-12-25(33)30-16-14-29(15-17-30)22-8-6-21(27)7-9-22/h3-9,23H,10-18H2,1-2H3,(H,28,32)
InChIKeyNSLUOHONJIJXKV-UHFFFAOYSA-N
XLogP3.58
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.57
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 84562381
2-[cyclopropyl-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 84562373
3-[cyclopropyl(2-hydroxyethyl)amino]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 110892137
1-[3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 84566512
2-[[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropyl]-cyclopropylamino]-N-(2,6-dimethylphenyl)acetamide
CID 84562402
3-[3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanoylamino]propanoic acid
CID 84565869
3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-propan-2-ylpropanamide
CID 84565827
3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)propanamide
CID 84565854
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-one
CID 110839307
4-[[3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanoylamino]methyl]benzoic acid
CID 84566498
3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(4-hydroxyphenyl)propanamide
CID 84566689
3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(3,5-dimethylphenyl)propanamide
CID 84567313

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]amino]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[cyclopropyl-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]amino]-N-(2,6-dimethylphenyl)acetamide (CID 84561922) is 2-[cyclopropyl-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]amino]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[cyclopropyl-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]amino]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[cyclopropyl-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]amino]-N-(2,6-dimethylphenyl)acetamide is Cc1cccc(C)c1NC(=O)CN(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]amino]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is NSLUOHONJIJXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN4O2/c1-19-4-3-5-20(2)26(19)28-24(32)18-31(23-10-11-23)13-12-25(33)30-16-14-29(15-17-30)22-8-6-21(27)7-9-22/h3-9,23H,10-18H2,1-2H3,(H,28,32).
What are the key properties of 2-[cyclopropyl-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]amino]-N-(2,6-dimethylphenyl)acetamide?
2-[cyclopropyl-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]amino]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 452.57 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]amino]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 84561922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).