2-cyclopentyl-N-[(3-fluorophenyl)methyl]-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide

C26H29F4N3O2 — CID 46024559

IUPAC2-cyclopentyl-N-[(3-fluorophenyl)methyl]-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
SMILESO=C(NCc1cccc(F)c1)C(C1CCCC1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C26H29F4N3O2/c27-22-7-3-4-18(16-22)17-31-24(34)23(19-5-1-2-6-19)32-12-14-33(15-13-32)25(35)20-8-10-21(11-9-20)26(28,29)30/h3-4,7-11,16,19,23H,1-2,5-6,12-15,17H2,(H,31,34)
InChIKeyMYGXSDXKZXAZAK-UHFFFAOYSA-N
MW491.53 g/mol
LogP4.48
Rot. Bonds6

About 2-cyclopentyl-N-[(3-fluorophenyl)methyl]-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide

2-cyclopentyl-N-[(3-fluorophenyl)methyl]-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide (PubChem CID 46024559) has the molecular formula C26H29F4N3O2 and a molecular weight of 491.53 g/mol. Its IUPAC name is 2-cyclopentyl-N-[(3-fluorophenyl)methyl]-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[(3-fluorophenyl)methyl]-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
PubChem CID46024559
Molecular FormulaC26H29F4N3O2
Molecular Weight491.53 g/mol
Exact Mass491.22
IUPAC Name2-cyclopentyl-N-[(3-fluorophenyl)methyl]-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
SMILESO=C(NCc1cccc(F)c1)C(C1CCCC1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C26H29F4N3O2/c27-22-7-3-4-18(16-22)17-31-24(34)23(19-5-1-2-6-19)32-12-14-33(15-13-32)25(35)20-8-10-21(11-9-20)26(28,29)30/h3-4,7-11,16,19,23H,1-2,5-6,12-15,17H2,(H,31,34)
InChIKeyMYGXSDXKZXAZAK-UHFFFAOYSA-N
XLogP4.48
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.53
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[(3-fluorophenyl)methyl]-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[(3-fluorophenyl)methyl]-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide (CID 46024559) is 2-cyclopentyl-N-[(3-fluorophenyl)methyl]-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[(3-fluorophenyl)methyl]-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[(3-fluorophenyl)methyl]-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide is O=C(NCc1cccc(F)c1)C(C1CCCC1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 2-cyclopentyl-N-[(3-fluorophenyl)methyl]-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide?
The InChIKey is MYGXSDXKZXAZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F4N3O2/c27-22-7-3-4-18(16-22)17-31-24(34)23(19-5-1-2-6-19)32-12-14-33(15-13-32)25(35)20-8-10-21(11-9-20)26(28,29)30/h3-4,7-11,16,19,23H,1-2,5-6,12-15,17H2,(H,31,34).
What are the key properties of 2-cyclopentyl-N-[(3-fluorophenyl)methyl]-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide?
2-cyclopentyl-N-[(3-fluorophenyl)methyl]-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide has a molecular weight of 491.53 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[(3-fluorophenyl)methyl]-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 46024559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).