2-cyclopentyl-N-ethyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide

C20H28FN3O2 — CID 46024725

IUPAC2-cyclopentyl-N-ethyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
SMILESCCNC(=O)C(C1CCCC1)N1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C20H28FN3O2/c1-2-22-19(25)18(15-7-3-4-8-15)23-11-13-24(14-12-23)20(26)16-9-5-6-10-17(16)21/h5-6,9-10,15,18H,2-4,7-8,11-14H2,1H3,(H,22,25)
InChIKeyBDUCTCSHXKYGQV-UHFFFAOYSA-N
MW361.46 g/mol
LogP2.28
Rot. Bonds5

About 2-cyclopentyl-N-ethyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide

2-cyclopentyl-N-ethyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide (PubChem CID 46024725) has the molecular formula C20H28FN3O2 and a molecular weight of 361.46 g/mol. Its IUPAC name is 2-cyclopentyl-N-ethyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-ethyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
PubChem CID46024725
Molecular FormulaC20H28FN3O2
Molecular Weight361.46 g/mol
Exact Mass361.22
IUPAC Name2-cyclopentyl-N-ethyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
SMILESCCNC(=O)C(C1CCCC1)N1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C20H28FN3O2/c1-2-22-19(25)18(15-7-3-4-8-15)23-11-13-24(14-12-23)20(26)16-9-5-6-10-17(16)21/h5-6,9-10,15,18H,2-4,7-8,11-14H2,1H3,(H,22,25)
InChIKeyBDUCTCSHXKYGQV-UHFFFAOYSA-N
XLogP2.28
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-ethyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of 2-cyclopentyl-N-ethyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide (CID 46024725) is 2-cyclopentyl-N-ethyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-ethyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-ethyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide is CCNC(=O)C(C1CCCC1)N1CCN(C(=O)c2ccccc2F)CC1.
What is the InChIKey of 2-cyclopentyl-N-ethyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide?
The InChIKey is BDUCTCSHXKYGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O2/c1-2-22-19(25)18(15-7-3-4-8-15)23-11-13-24(14-12-23)20(26)16-9-5-6-10-17(16)21/h5-6,9-10,15,18H,2-4,7-8,11-14H2,1H3,(H,22,25).
What are the key properties of 2-cyclopentyl-N-ethyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide?
2-cyclopentyl-N-ethyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide has a molecular weight of 361.46 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-ethyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 46024725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).