2-cyclopentyl-2-[4-(4-ethylbenzoyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide

C29H39N3O2 — CID 46027571

IUPAC2-cyclopentyl-2-[4-(4-ethylbenzoyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
SMILESCCc1ccc(C(=O)N2CCN(C(C(=O)Nc3ccc(C(C)C)cc3)C3CCCC3)CC2)cc1
InChIInChI=1S/C29H39N3O2/c1-4-22-9-11-25(12-10-22)29(34)32-19-17-31(18-20-32)27(24-7-5-6-8-24)28(33)30-26-15-13-23(14-16-26)21(2)3/h9-16,21,24,27H,4-8,17-20H2,1-3H3,(H,30,33)
InChIKeyCXHZTVAXVWJZOR-UHFFFAOYSA-N
MW461.65 g/mol
LogP5.33
Rot. Bonds7

About 2-cyclopentyl-2-[4-(4-ethylbenzoyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide

2-cyclopentyl-2-[4-(4-ethylbenzoyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 46027571) has the molecular formula C29H39N3O2 and a molecular weight of 461.65 g/mol. Its IUPAC name is 2-cyclopentyl-2-[4-(4-ethylbenzoyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-cyclopentyl-2-[4-(4-ethylbenzoyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
PubChem CID46027571
Molecular FormulaC29H39N3O2
Molecular Weight461.65 g/mol
Exact Mass461.30
IUPAC Name2-cyclopentyl-2-[4-(4-ethylbenzoyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
SMILESCCc1ccc(C(=O)N2CCN(C(C(=O)Nc3ccc(C(C)C)cc3)C3CCCC3)CC2)cc1
InChIInChI=1S/C29H39N3O2/c1-4-22-9-11-25(12-10-22)29(34)32-19-17-31(18-20-32)27(24-7-5-6-8-24)28(33)30-26-15-13-23(14-16-26)21(2)3/h9-16,21,24,27H,4-8,17-20H2,1-3H3,(H,30,33)
InChIKeyCXHZTVAXVWJZOR-UHFFFAOYSA-N
XLogP5.33
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.65
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(3-chlorophenyl)-2-cyclopentyl-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide
CID 93221893
(2R)-2-cyclopentyl-2-[4-(3,5-difluorobenzoyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 93222019
2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(4-propan-2-ylphenyl)acetamide
CID 46027562
(2S)-2-cyclopentyl-2-[4-[(2S)-2-phenylbutanoyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 93222013
2-cyclopentyl-2-[4-(2-phenylbutanoyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 46027567
2-cyclopentyl-2-[4-(4-ethylbenzoyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)acetamide
CID 42842420
2-cyclopentyl-N-(4-fluorophenyl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]acetamide
CID 46027386
(2R)-2-(4-benzoylpiperazin-1-yl)-2-cyclopentyl-N-(4-fluorophenyl)acetamide
CID 93221614
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-ethylacetamide
CID 46024727
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-propan-2-ylacetamide
CID 42842473
N-cyclopentyl-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propanamide
CID 55574544
(2S)-2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3,4-dimethoxyphenyl)acetamide
CID 93222056

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-[4-(4-ethylbenzoyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-cyclopentyl-2-[4-(4-ethylbenzoyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide (CID 46027571) is 2-cyclopentyl-2-[4-(4-ethylbenzoyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-cyclopentyl-2-[4-(4-ethylbenzoyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-cyclopentyl-2-[4-(4-ethylbenzoyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide is CCc1ccc(C(=O)N2CCN(C(C(=O)Nc3ccc(C(C)C)cc3)C3CCCC3)CC2)cc1.
What is the InChIKey of 2-cyclopentyl-2-[4-(4-ethylbenzoyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is CXHZTVAXVWJZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N3O2/c1-4-22-9-11-25(12-10-22)29(34)32-19-17-31(18-20-32)27(24-7-5-6-8-24)28(33)30-26-15-13-23(14-16-26)21(2)3/h9-16,21,24,27H,4-8,17-20H2,1-3H3,(H,30,33).
What are the key properties of 2-cyclopentyl-2-[4-(4-ethylbenzoyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
2-cyclopentyl-2-[4-(4-ethylbenzoyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 461.65 g/mol, XLogP of 5.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-[4-(4-ethylbenzoyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 46027571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).