N-butan-2-yl-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide

C22H31Cl2N3O2 — CID 46024308

IUPACN-butan-2-yl-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide
SMILESCCC(C)NC(=O)C(C1CCCC1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C22H31Cl2N3O2/c1-3-15(2)25-21(28)20(16-6-4-5-7-16)26-10-12-27(13-11-26)22(29)18-9-8-17(23)14-19(18)24/h8-9,14-16,20H,3-7,10-13H2,1-2H3,(H,25,28)
InChIKeyLXMAXJYZVXHGIU-UHFFFAOYSA-N
MW440.42 g/mol
LogP4.22
Rot. Bonds6

About N-butan-2-yl-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide

N-butan-2-yl-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide (PubChem CID 46024308) has the molecular formula C22H31Cl2N3O2 and a molecular weight of 440.42 g/mol. Its IUPAC name is N-butan-2-yl-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide
PubChem CID46024308
Molecular FormulaC22H31Cl2N3O2
Molecular Weight440.42 g/mol
Exact Mass439.18
IUPAC NameN-butan-2-yl-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide
SMILESCCC(C)NC(=O)C(C1CCCC1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C22H31Cl2N3O2/c1-3-15(2)25-21(28)20(16-6-4-5-7-16)26-10-12-27(13-11-26)22(29)18-9-8-17(23)14-19(18)24/h8-9,14-16,20H,3-7,10-13H2,1-2H3,(H,25,28)
InChIKeyLXMAXJYZVXHGIU-UHFFFAOYSA-N
XLogP4.22
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.42
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(4-acetylpiperazin-1-yl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]ethanone
CID 93208410
N-(4-acetamidophenyl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide
CID 46027646
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
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-propan-2-ylacetamide
CID 42842473
(2R)-N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide
CID 93222111
2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-N-butan-2-yl-2-cyclopentylacetamide
CID 42842485
N-butan-2-yl-2-cyclopentyl-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]acetamide
CID 42842489
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-ethylacetamide
CID 46024727
4-(2,4-dichlorobenzoyl)-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110811718
2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propanoic acid
CID 62317244
1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 108569544

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-butan-2-yl-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide (CID 46024308) is N-butan-2-yl-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-butan-2-yl-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide is CCC(C)NC(=O)C(C1CCCC1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of N-butan-2-yl-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide?
The InChIKey is LXMAXJYZVXHGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31Cl2N3O2/c1-3-15(2)25-21(28)20(16-6-4-5-7-16)26-10-12-27(13-11-26)22(29)18-9-8-17(23)14-19(18)24/h8-9,14-16,20H,3-7,10-13H2,1-2H3,(H,25,28).
What are the key properties of N-butan-2-yl-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide?
N-butan-2-yl-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide has a molecular weight of 440.42 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 46024308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).