(2S)-1-(4-acetylpiperazin-1-yl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]ethanone

C24H32Cl2N4O3 — CID 93208410

IUPAC(2S)-1-(4-acetylpiperazin-1-yl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)[C@H](C2CCCC2)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)CC1
InChIInChI=1S/C24H32Cl2N4O3/c1-17(31)27-8-12-30(13-9-27)24(33)22(18-4-2-3-5-18)28-10-14-29(15-11-28)23(32)20-7-6-19(25)16-21(20)26/h6-7,16,18,22H,2-5,8-15H2,1H3/t22-/m0/s1
InChIKeyMSCYTXUDZMKODX-QFIPXVFZSA-N
MW495.45 g/mol
LogP3.00
Rot. Bonds4

About (2S)-1-(4-acetylpiperazin-1-yl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]ethanone

(2S)-1-(4-acetylpiperazin-1-yl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]ethanone (PubChem CID 93208410) has the molecular formula C24H32Cl2N4O3 and a molecular weight of 495.45 g/mol. Its IUPAC name is (2S)-1-(4-acetylpiperazin-1-yl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name(2S)-1-(4-acetylpiperazin-1-yl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]ethanone
PubChem CID93208410
Molecular FormulaC24H32Cl2N4O3
Molecular Weight495.45 g/mol
Exact Mass494.19
IUPAC Name(2S)-1-(4-acetylpiperazin-1-yl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)[C@H](C2CCCC2)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)CC1
InChIInChI=1S/C24H32Cl2N4O3/c1-17(31)27-8-12-30(13-9-27)24(33)22(18-4-2-3-5-18)28-10-14-29(15-11-28)23(32)20-7-6-19(25)16-21(20)26/h6-7,16,18,22H,2-5,8-15H2,1H3/t22-/m0/s1
InChIKeyMSCYTXUDZMKODX-QFIPXVFZSA-N
XLogP3.00
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.45
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S)-1-(4-acetylpiperazin-1-yl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

N-(4-acetamidophenyl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide
CID 46027646
N-butan-2-yl-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide
CID 46024308
N-(3-chlorophenyl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide
CID 46027494
(2S)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 93209781
(2R)-N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide
CID 93222111
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-1-piperidin-1-ylethanone
CID 46023982
1-(4-acetylpiperazin-1-yl)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentylethanone
CID 42842330
(2R)-2-cyclopentyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 93208208
(4-cyclopentylsulfonylpiperazin-1-yl)-(2,4-dichlorophenyl)methanone
CID 110363728
1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 108569544
2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propanoic acid
CID 62317244
1-(4-acetylpiperazin-1-yl)-2-cyclopentyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]ethanone
CID 46024051

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-acetylpiperazin-1-yl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]ethanone?
The IUPAC name of (2S)-1-(4-acetylpiperazin-1-yl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]ethanone (CID 93208410) is (2S)-1-(4-acetylpiperazin-1-yl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]ethanone.
What is the SMILES notation for (2S)-1-(4-acetylpiperazin-1-yl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]ethanone?
The canonical SMILES for (2S)-1-(4-acetylpiperazin-1-yl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)[C@H](C2CCCC2)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)CC1.
What is the InChIKey of (2S)-1-(4-acetylpiperazin-1-yl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]ethanone?
The InChIKey is MSCYTXUDZMKODX-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H32Cl2N4O3/c1-17(31)27-8-12-30(13-9-27)24(33)22(18-4-2-3-5-18)28-10-14-29(15-11-28)23(32)20-7-6-19(25)16-21(20)26/h6-7,16,18,22H,2-5,8-15H2,1H3/t22-/m0/s1.
What are the key properties of (2S)-1-(4-acetylpiperazin-1-yl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]ethanone?
(2S)-1-(4-acetylpiperazin-1-yl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]ethanone has a molecular weight of 495.45 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-acetylpiperazin-1-yl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 93208410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).