2-cyclopentyl-N-(2,4-difluorophenyl)-2-(4-propanoylpiperazin-1-yl)acetamide

C20H27F2N3O2 — CID 46027660

IUPAC2-cyclopentyl-N-(2,4-difluorophenyl)-2-(4-propanoylpiperazin-1-yl)acetamide
SMILESCCC(=O)N1CCN(C(C(=O)Nc2ccc(F)cc2F)C2CCCC2)CC1
InChIInChI=1S/C20H27F2N3O2/c1-2-18(26)24-9-11-25(12-10-24)19(14-5-3-4-6-14)20(27)23-17-8-7-15(21)13-16(17)22/h7-8,13-14,19H,2-6,9-12H2,1H3,(H,23,27)
InChIKeyYBCLCMOOYLDBTH-UHFFFAOYSA-N
MW379.45 g/mol
LogP3.02
Rot. Bonds5

About 2-cyclopentyl-N-(2,4-difluorophenyl)-2-(4-propanoylpiperazin-1-yl)acetamide

2-cyclopentyl-N-(2,4-difluorophenyl)-2-(4-propanoylpiperazin-1-yl)acetamide (PubChem CID 46027660) has the molecular formula C20H27F2N3O2 and a molecular weight of 379.45 g/mol. Its IUPAC name is 2-cyclopentyl-N-(2,4-difluorophenyl)-2-(4-propanoylpiperazin-1-yl)acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-(2,4-difluorophenyl)-2-(4-propanoylpiperazin-1-yl)acetamide
PubChem CID46027660
Molecular FormulaC20H27F2N3O2
Molecular Weight379.45 g/mol
Exact Mass379.21
IUPAC Name2-cyclopentyl-N-(2,4-difluorophenyl)-2-(4-propanoylpiperazin-1-yl)acetamide
SMILESCCC(=O)N1CCN(C(C(=O)Nc2ccc(F)cc2F)C2CCCC2)CC1
InChIInChI=1S/C20H27F2N3O2/c1-2-18(26)24-9-11-25(12-10-24)19(14-5-3-4-6-14)20(27)23-17-8-7-15(21)13-16(17)22/h7-8,13-14,19H,2-6,9-12H2,1H3,(H,23,27)
InChIKeyYBCLCMOOYLDBTH-UHFFFAOYSA-N
XLogP3.02
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 93222066
4-[(1S)-1-cyclopentyl-2-oxo-2-(propan-2-ylamino)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 93221214
1-(2,4-difluorophenyl)-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea
CID 127228015
N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]acetamide
CID 46027634
4-(1-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide
CID 63595164
N-(4-acetamidophenyl)-2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]acetamide
CID 46027642
(2R)-2-(4-benzoylpiperazin-1-yl)-2-cyclopentyl-N-(4-fluorophenyl)acetamide
CID 93221614
(2S)-2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 93221957
4-[(1R)-1-cyclopentyl-2-[[(2R)-2-methylbutyl]amino]-2-oxoethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 93221291
2-cyclopentyl-N-(3-fluorophenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide
CID 42843657
2-cyclopentyl-2-[4-[(4-fluorophenyl)carbamothioyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 42843543
ethyl 4-[4-[(1R)-1-cyclopentyl-2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-4-oxobutanoate
CID 93221962

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-(2,4-difluorophenyl)-2-(4-propanoylpiperazin-1-yl)acetamide?
The IUPAC name of 2-cyclopentyl-N-(2,4-difluorophenyl)-2-(4-propanoylpiperazin-1-yl)acetamide (CID 46027660) is 2-cyclopentyl-N-(2,4-difluorophenyl)-2-(4-propanoylpiperazin-1-yl)acetamide.
What is the SMILES notation for 2-cyclopentyl-N-(2,4-difluorophenyl)-2-(4-propanoylpiperazin-1-yl)acetamide?
The canonical SMILES for 2-cyclopentyl-N-(2,4-difluorophenyl)-2-(4-propanoylpiperazin-1-yl)acetamide is CCC(=O)N1CCN(C(C(=O)Nc2ccc(F)cc2F)C2CCCC2)CC1.
What is the InChIKey of 2-cyclopentyl-N-(2,4-difluorophenyl)-2-(4-propanoylpiperazin-1-yl)acetamide?
The InChIKey is YBCLCMOOYLDBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F2N3O2/c1-2-18(26)24-9-11-25(12-10-24)19(14-5-3-4-6-14)20(27)23-17-8-7-15(21)13-16(17)22/h7-8,13-14,19H,2-6,9-12H2,1H3,(H,23,27).
What are the key properties of 2-cyclopentyl-N-(2,4-difluorophenyl)-2-(4-propanoylpiperazin-1-yl)acetamide?
2-cyclopentyl-N-(2,4-difluorophenyl)-2-(4-propanoylpiperazin-1-yl)acetamide has a molecular weight of 379.45 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-(2,4-difluorophenyl)-2-(4-propanoylpiperazin-1-yl)acetamide is sourced from PubChem (CID 46027660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).