1-(4-acetylpiperazin-1-yl)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentylethanone

C28H42N4O3 — CID 42842330

IUPAC1-(4-acetylpiperazin-1-yl)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentylethanone
SMILESCC(=O)N1CCN(C(=O)C(C2CCCC2)N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)CC1
InChIInChI=1S/C28H42N4O3/c1-21(33)29-13-17-32(18-14-29)27(35)25(22-7-5-6-8-22)30-15-19-31(20-16-30)26(34)23-9-11-24(12-10-23)28(2,3)4/h9-12,22,25H,5-8,13-20H2,1-4H3
InChIKeyXCPLNPRGZNJUGP-UHFFFAOYSA-N
MW482.67 g/mol
LogP2.99
Rot. Bonds4

About 1-(4-acetylpiperazin-1-yl)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentylethanone

1-(4-acetylpiperazin-1-yl)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentylethanone (PubChem CID 42842330) has the molecular formula C28H42N4O3 and a molecular weight of 482.67 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentylethanone.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentylethanone
PubChem CID42842330
Molecular FormulaC28H42N4O3
Molecular Weight482.67 g/mol
Exact Mass482.33
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentylethanone
SMILESCC(=O)N1CCN(C(=O)C(C2CCCC2)N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)CC1
InChIInChI=1S/C28H42N4O3/c1-21(33)29-13-17-32(18-14-29)27(35)25(22-7-5-6-8-22)30-15-19-31(20-16-30)26(34)23-9-11-24(12-10-23)28(2,3)4/h9-12,22,25H,5-8,13-20H2,1-4H3
InChIKeyXCPLNPRGZNJUGP-UHFFFAOYSA-N
XLogP2.99
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.67
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-1-thiomorpholin-4-ylethanone
CID 46024160
(2R)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-cyclopropylacetamide
CID 93209263
1-(4-acetylpiperazin-1-yl)-2-cyclopentyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]ethanone
CID 46024051
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethanone
CID 78783485
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-1-piperidin-1-ylethanone
CID 46023982
2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(oxolan-2-ylmethyl)acetamide
CID 46024452
(2S)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-methylphenyl)acetamide
CID 93221756
2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3,5-dimethoxyphenyl)acetamide
CID 46027506
(2S)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 93209680
(2S)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(pyridin-4-ylmethyl)acetamide
CID 93208855
2-cyclopentyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 42842288
2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 42842701

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentylethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentylethanone (CID 42842330) is 1-(4-acetylpiperazin-1-yl)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentylethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentylethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentylethanone is CC(=O)N1CCN(C(=O)C(C2CCCC2)N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentylethanone?
The InChIKey is XCPLNPRGZNJUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42N4O3/c1-21(33)29-13-17-32(18-14-29)27(35)25(22-7-5-6-8-22)30-15-19-31(20-16-30)26(34)23-9-11-24(12-10-23)28(2,3)4/h9-12,22,25H,5-8,13-20H2,1-4H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentylethanone?
1-(4-acetylpiperazin-1-yl)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentylethanone has a molecular weight of 482.67 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentylethanone is sourced from PubChem (CID 42842330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).