2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3,5-dimethoxyphenyl)acetamide

C30H41N3O4 — CID 46027506

IUPAC2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)C(C2CCCC2)N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc(OC)c1
InChIInChI=1S/C30H41N3O4/c1-30(2,3)23-12-10-22(11-13-23)29(35)33-16-14-32(15-17-33)27(21-8-6-7-9-21)28(34)31-24-18-25(36-4)20-26(19-24)37-5/h10-13,18-21,27H,6-9,14-17H2,1-5H3,(H,31,34)
InChIKeyPYVACTUUFAHTPO-UHFFFAOYSA-N
MW507.68 g/mol
LogP4.96
Rot. Bonds7

About 2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3,5-dimethoxyphenyl)acetamide

2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3,5-dimethoxyphenyl)acetamide (PubChem CID 46027506) has the molecular formula C30H41N3O4 and a molecular weight of 507.68 g/mol. Its IUPAC name is 2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3,5-dimethoxyphenyl)acetamide
PubChem CID46027506
Molecular FormulaC30H41N3O4
Molecular Weight507.68 g/mol
Exact Mass507.31
IUPAC Name2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)C(C2CCCC2)N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc(OC)c1
InChIInChI=1S/C30H41N3O4/c1-30(2,3)23-12-10-22(11-13-23)29(35)33-16-14-32(15-17-33)27(21-8-6-7-9-21)28(34)31-24-18-25(36-4)20-26(19-24)37-5/h10-13,18-21,27H,6-9,14-17H2,1-5H3,(H,31,34)
InChIKeyPYVACTUUFAHTPO-UHFFFAOYSA-N
XLogP4.96
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.68
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-cyclopentyl-N-(3,5-dimethoxyphenyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
CID 93221901
(2S)-N-(4-acetamidophenyl)-2-cyclopentyl-2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]acetamide
CID 93222166
(2S)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-methylphenyl)acetamide
CID 93221756
2-cyclopentyl-N-(4-fluorophenyl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]acetamide
CID 46027386
(2R)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-cyclopropylacetamide
CID 93209263
2-cyclopentyl-N-(3,4-dimethoxyphenyl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]acetamide
CID 42843651
2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 42842701
1-(4-acetylpiperazin-1-yl)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentylethanone
CID 42842330
(2S)-2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3,4-dimethoxyphenyl)acetamide
CID 93222056
N-(4-acetamidophenyl)-2-cyclopentyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide
CID 46027650
(2R)-2-cyclopentyl-N-[2-(4-methoxyphenyl)ethyl]-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
CID 93210467
2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-1-thiomorpholin-4-ylethanone
CID 46024160

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3,5-dimethoxyphenyl)acetamide (CID 46027506) is 2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3,5-dimethoxyphenyl)acetamide is COc1cc(NC(=O)C(C2CCCC2)N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc(OC)c1.
What is the InChIKey of 2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3,5-dimethoxyphenyl)acetamide?
The InChIKey is PYVACTUUFAHTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N3O4/c1-30(2,3)23-12-10-22(11-13-23)29(35)33-16-14-32(15-17-33)27(21-8-6-7-9-21)28(34)31-24-18-25(36-4)20-26(19-24)37-5/h10-13,18-21,27H,6-9,14-17H2,1-5H3,(H,31,34).
What are the key properties of 2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3,5-dimethoxyphenyl)acetamide?
2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3,5-dimethoxyphenyl)acetamide has a molecular weight of 507.68 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 46027506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).