2-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-[4-(2-phenylbutanoyl)piperazin-1-yl]acetamide

C28H36FN3O2 — CID 46024661

IUPAC2-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-[4-(2-phenylbutanoyl)piperazin-1-yl]acetamide
SMILESCCC(C(=O)N1CCN(C(C(=O)NCc2ccccc2F)C2CCCC2)CC1)c1ccccc1
InChIInChI=1S/C28H36FN3O2/c1-2-24(21-10-4-3-5-11-21)28(34)32-18-16-31(17-19-32)26(22-12-6-7-13-22)27(33)30-20-23-14-8-9-15-25(23)29/h3-5,8-11,14-15,22,24,26H,2,6-7,12-13,16-20H2,1H3,(H,30,33)
InChIKeyDTSFCKKHGGEYPX-UHFFFAOYSA-N
MW465.61 g/mol
LogP4.34
Rot. Bonds8

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

2-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-[4-(2-phenylbutanoyl)piperazin-1-yl]acetamide (PubChem CID 46024661) has the molecular formula C28H36FN3O2 and a molecular weight of 465.61 g/mol. Its IUPAC name is 2-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-[4-(2-phenylbutanoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-[4-(2-phenylbutanoyl)piperazin-1-yl]acetamide
PubChem CID46024661
Molecular FormulaC28H36FN3O2
Molecular Weight465.61 g/mol
Exact Mass465.28
IUPAC Name2-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-[4-(2-phenylbutanoyl)piperazin-1-yl]acetamide
SMILESCCC(C(=O)N1CCN(C(C(=O)NCc2ccccc2F)C2CCCC2)CC1)c1ccccc1
InChIInChI=1S/C28H36FN3O2/c1-2-24(21-10-4-3-5-11-21)28(34)32-18-16-31(17-19-32)26(22-12-6-7-13-22)27(33)30-20-23-14-8-9-15-25(23)29/h3-5,8-11,14-15,22,24,26H,2,6-7,12-13,16-20H2,1H3,(H,30,33)
InChIKeyDTSFCKKHGGEYPX-UHFFFAOYSA-N
XLogP4.34
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.61
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-[4-(2-phenylbutanoyl)piperazin-1-yl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-[4-(2-phenylbutanoyl)piperazin-1-yl]acetamide (CID 46024661) is 2-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-[4-(2-phenylbutanoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-[4-(2-phenylbutanoyl)piperazin-1-yl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-[4-(2-phenylbutanoyl)piperazin-1-yl]acetamide is CCC(C(=O)N1CCN(C(C(=O)NCc2ccccc2F)C2CCCC2)CC1)c1ccccc1.
What is the InChIKey of 2-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-[4-(2-phenylbutanoyl)piperazin-1-yl]acetamide?
The InChIKey is DTSFCKKHGGEYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36FN3O2/c1-2-24(21-10-4-3-5-11-21)28(34)32-18-16-31(17-19-32)26(22-12-6-7-13-22)27(33)30-20-23-14-8-9-15-25(23)29/h3-5,8-11,14-15,22,24,26H,2,6-7,12-13,16-20H2,1H3,(H,30,33).
What are the key properties of 2-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-[4-(2-phenylbutanoyl)piperazin-1-yl]acetamide?
2-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-[4-(2-phenylbutanoyl)piperazin-1-yl]acetamide has a molecular weight of 465.61 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-[4-(2-phenylbutanoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 46024661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).