(2S)-N-(4-acetamidophenyl)-2-cyclopentyl-2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]acetamide

C28H36N4O5 — CID 93222166

IUPAC(2S)-N-(4-acetamidophenyl)-2-cyclopentyl-2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]acetamide
SMILESCOc1cc(OC)cc(C(=O)N2CCN([C@H](C(=O)Nc3ccc(NC(C)=O)cc3)C3CCCC3)CC2)c1
InChIInChI=1S/C28H36N4O5/c1-19(33)29-22-8-10-23(11-9-22)30-27(34)26(20-6-4-5-7-20)31-12-14-32(15-13-31)28(35)21-16-24(36-2)18-25(17-21)37-3/h8-11,16-18,20,26H,4-7,12-15H2,1-3H3,(H,29,33)(H,30,34)/t26-/m0/s1
InChIKeyNZSDTZAHPDIGGV-SANMLTNESA-N
MW508.62 g/mol
LogP3.62
Rot. Bonds8

About (2S)-N-(4-acetamidophenyl)-2-cyclopentyl-2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]acetamide

(2S)-N-(4-acetamidophenyl)-2-cyclopentyl-2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]acetamide (PubChem CID 93222166) has the molecular formula C28H36N4O5 and a molecular weight of 508.62 g/mol. Its IUPAC name is (2S)-N-(4-acetamidophenyl)-2-cyclopentyl-2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name(2S)-N-(4-acetamidophenyl)-2-cyclopentyl-2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]acetamide
PubChem CID93222166
Molecular FormulaC28H36N4O5
Molecular Weight508.62 g/mol
Exact Mass508.27
IUPAC Name(2S)-N-(4-acetamidophenyl)-2-cyclopentyl-2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]acetamide
SMILESCOc1cc(OC)cc(C(=O)N2CCN([C@H](C(=O)Nc3ccc(NC(C)=O)cc3)C3CCCC3)CC2)c1
InChIInChI=1S/C28H36N4O5/c1-19(33)29-22-8-10-23(11-9-22)30-27(34)26(20-6-4-5-7-20)31-12-14-32(15-13-31)28(35)21-16-24(36-2)18-25(17-21)37-3/h8-11,16-18,20,26H,4-7,12-15H2,1-3H3,(H,29,33)(H,30,34)/t26-/m0/s1
InChIKeyNZSDTZAHPDIGGV-SANMLTNESA-N
XLogP3.62
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.62
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetamidophenyl)-2-cyclopentyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide
CID 46027650
2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3,5-dimethoxyphenyl)acetamide
CID 46027506
2-cyclopentyl-N-(4-fluorophenyl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]acetamide
CID 46027386
(2R)-2-cyclopentyl-N-(3,5-dimethoxyphenyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
CID 93221901
2-cyclopentyl-N-(3,4-dimethoxyphenyl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]acetamide
CID 42843651
N-(4-acetamidophenyl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide
CID 46027646
2-cyclopentyl-2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 42842761
(2R)-2-cyclopentyl-2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 93208356
(2R)-2-cyclopentyl-2-[4-(3,5-difluorobenzoyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 93222019
(2S)-2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3,4-dimethoxyphenyl)acetamide
CID 93222056
N-(4-acetamidophenyl)-2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]acetamide
CID 46027642
(2R)-2-(4-benzoylpiperazin-1-yl)-2-cyclopentyl-N-(4-fluorophenyl)acetamide
CID 93221614

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-acetamidophenyl)-2-cyclopentyl-2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of (2S)-N-(4-acetamidophenyl)-2-cyclopentyl-2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]acetamide (CID 93222166) is (2S)-N-(4-acetamidophenyl)-2-cyclopentyl-2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for (2S)-N-(4-acetamidophenyl)-2-cyclopentyl-2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for (2S)-N-(4-acetamidophenyl)-2-cyclopentyl-2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]acetamide is COc1cc(OC)cc(C(=O)N2CCN([C@H](C(=O)Nc3ccc(NC(C)=O)cc3)C3CCCC3)CC2)c1.
What is the InChIKey of (2S)-N-(4-acetamidophenyl)-2-cyclopentyl-2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]acetamide?
The InChIKey is NZSDTZAHPDIGGV-SANMLTNESA-N. The full InChI is InChI=1S/C28H36N4O5/c1-19(33)29-22-8-10-23(11-9-22)30-27(34)26(20-6-4-5-7-20)31-12-14-32(15-13-31)28(35)21-16-24(36-2)18-25(17-21)37-3/h8-11,16-18,20,26H,4-7,12-15H2,1-3H3,(H,29,33)(H,30,34)/t26-/m0/s1.
What are the key properties of (2S)-N-(4-acetamidophenyl)-2-cyclopentyl-2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]acetamide?
(2S)-N-(4-acetamidophenyl)-2-cyclopentyl-2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]acetamide has a molecular weight of 508.62 g/mol, XLogP of 3.62, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-acetamidophenyl)-2-cyclopentyl-2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 93222166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).