N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]acetamide

C25H27F2N3O4 — CID 46027634

IUPACN-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]acetamide
SMILESO=C(Nc1ccc2c(c1)OCO2)C(C1CCCC1)N1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C25H27F2N3O4/c26-17-5-7-19(20(27)13-17)25(32)30-11-9-29(10-12-30)23(16-3-1-2-4-16)24(31)28-18-6-8-21-22(14-18)34-15-33-21/h5-8,13-14,16,23H,1-4,9-12,15H2,(H,28,31)
InChIKeyLHFRUYHQQJGXNT-UHFFFAOYSA-N
MW471.50 g/mol
LogP3.65
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]acetamide

N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]acetamide (PubChem CID 46027634) has the molecular formula C25H27F2N3O4 and a molecular weight of 471.50 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]acetamide
PubChem CID46027634
Molecular FormulaC25H27F2N3O4
Molecular Weight471.50 g/mol
Exact Mass471.20
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]acetamide
SMILESO=C(Nc1ccc2c(c1)OCO2)C(C1CCCC1)N1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C25H27F2N3O4/c26-17-5-7-19(20(27)13-17)25(32)30-11-9-29(10-12-30)23(16-3-1-2-4-16)24(31)28-18-6-8-21-22(14-18)34-15-33-21/h5-8,13-14,16,23H,1-4,9-12,15H2,(H,28,31)
InChIKeyLHFRUYHQQJGXNT-UHFFFAOYSA-N
XLogP3.65
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.50
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]acetamide with MolForge

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Related Compounds

(2R)-N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide
CID 93222111
(2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentylacetamide
CID 93222108
N-(1,3-benzodioxol-5-yl)-2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentylacetamide
CID 46027619
(2R)-N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide
CID 93222100
methyl 4-[2-(1,3-benzodioxol-5-ylamino)-1-cyclopentyl-2-oxoethyl]piperazine-1-carboxylate
CID 46153431
(2S)-N-(1,3-benzodioxol-5-yl)-2-[4-(3-bromobenzoyl)piperazin-1-yl]-2-cyclopentylacetamide
CID 93222109
ethyl 4-[4-[2-(1,3-benzodioxol-5-ylamino)-1-cyclopentyl-2-oxoethyl]piperazin-1-yl]-4-oxobutanoate
CID 46027631
2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-fluorophenyl)acetamide
CID 42843656
2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-phenylacetamide
CID 46027426
(2R)-2-(4-benzoylpiperazin-1-yl)-2-cyclopentyl-N-(4-fluorophenyl)acetamide
CID 93221614
2-cyclopentyl-N-(3-fluorophenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide
CID 42843657
(2S)-2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 93222066

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]acetamide (CID 46027634) is N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]acetamide is O=C(Nc1ccc2c(c1)OCO2)C(C1CCCC1)N1CCN(C(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]acetamide?
The InChIKey is LHFRUYHQQJGXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N3O4/c26-17-5-7-19(20(27)13-17)25(32)30-11-9-29(10-12-30)23(16-3-1-2-4-16)24(31)28-18-6-8-21-22(14-18)34-15-33-21/h5-8,13-14,16,23H,1-4,9-12,15H2,(H,28,31).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]acetamide?
N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]acetamide has a molecular weight of 471.50 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 46027634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).