2-cyclopentyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide

C23H29N3O3 — CID 46027437

IUPAC2-cyclopentyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)C(C2CCCC2)N2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C23H29N3O3/c1-17-8-10-19(11-9-17)24-22(27)21(18-5-2-3-6-18)25-12-14-26(15-13-25)23(28)20-7-4-16-29-20/h4,7-11,16,18,21H,2-3,5-6,12-15H2,1H3,(H,24,27)
InChIKeyIEHQXGNNTWZJPM-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.54
Rot. Bonds5

About 2-cyclopentyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide

2-cyclopentyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide (PubChem CID 46027437) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 2-cyclopentyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-cyclopentyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
PubChem CID46027437
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name2-cyclopentyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)C(C2CCCC2)N2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C23H29N3O3/c1-17-8-10-19(11-9-17)24-22(27)21(18-5-2-3-6-18)25-12-14-26(15-13-25)23(28)20-7-4-16-29-20/h4,7-11,16,18,21H,2-3,5-6,12-15H2,1H3,(H,24,27)
InChIKeyIEHQXGNNTWZJPM-UHFFFAOYSA-N
XLogP3.54
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide
CID 4881494
(2R)-N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide
CID 93222100
2-cyclopentyl-N-(3-fluorophenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide
CID 42843657
(2R)-2-(4-benzoylpiperazin-1-yl)-2-cyclopentyl-N-(4-fluorophenyl)acetamide
CID 93221614
2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-phenylacetamide
CID 46027426
2-cyclopentyl-2-[4-(4-ethylbenzoyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 46027571
2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(4-propan-2-ylphenyl)acetamide
CID 46027562
(2S)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-methylphenyl)acetamide
CID 93221756
N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide
CID 16613592
(2R)-N-(2,4-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 9431689
(2R)-2-cyclopentyl-2-[4-(3,5-difluorobenzoyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 93222019
2-cyclopentyl-N-(4-fluorophenyl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]acetamide
CID 46027386

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-cyclopentyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide (CID 46027437) is 2-cyclopentyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-cyclopentyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-cyclopentyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)C(C2CCCC2)N2CCN(C(=O)c3ccco3)CC2)cc1.
What is the InChIKey of 2-cyclopentyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is IEHQXGNNTWZJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-17-8-10-19(11-9-17)24-22(27)21(18-5-2-3-6-18)25-12-14-26(15-13-25)23(28)20-7-4-16-29-20/h4,7-11,16,18,21H,2-3,5-6,12-15H2,1H3,(H,24,27).
What are the key properties of 2-cyclopentyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide?
2-cyclopentyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 395.50 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 46027437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).