(2R)-N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide

C25H27Cl2N3O4 — CID 93222111

IUPAC(2R)-N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide
SMILESO=C(Nc1ccc2c(c1)OCO2)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C25H27Cl2N3O4/c26-17-5-7-19(20(27)13-17)25(32)30-11-9-29(10-12-30)23(16-3-1-2-4-16)24(31)28-18-6-8-21-22(14-18)34-15-33-21/h5-8,13-14,16,23H,1-4,9-12,15H2,(H,28,31)/t23-/m1/s1
InChIKeyHPDRMKJQBPVNFL-HSZRJFAPSA-N
MW504.41 g/mol
LogP4.68
Rot. Bonds5

About (2R)-N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide

(2R)-N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide (PubChem CID 93222111) has the molecular formula C25H27Cl2N3O4 and a molecular weight of 504.41 g/mol. Its IUPAC name is (2R)-N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name(2R)-N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide
PubChem CID93222111
Molecular FormulaC25H27Cl2N3O4
Molecular Weight504.41 g/mol
Exact Mass503.14
IUPAC Name(2R)-N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide
SMILESO=C(Nc1ccc2c(c1)OCO2)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C25H27Cl2N3O4/c26-17-5-7-19(20(27)13-17)25(32)30-11-9-29(10-12-30)23(16-3-1-2-4-16)24(31)28-18-6-8-21-22(14-18)34-15-33-21/h5-8,13-14,16,23H,1-4,9-12,15H2,(H,28,31)/t23-/m1/s1
InChIKeyHPDRMKJQBPVNFL-HSZRJFAPSA-N
XLogP4.68
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.41
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentylacetamide
CID 93222108
N-(1,3-benzodioxol-5-yl)-2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentylacetamide
CID 46027619
N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]acetamide
CID 46027634
N-(3-chlorophenyl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide
CID 46027494
(2R)-N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide
CID 93222100
methyl 4-[2-(1,3-benzodioxol-5-ylamino)-1-cyclopentyl-2-oxoethyl]piperazine-1-carboxylate
CID 46153431
(2S)-N-(1,3-benzodioxol-5-yl)-2-[4-(3-bromobenzoyl)piperazin-1-yl]-2-cyclopentylacetamide
CID 93222109
ethyl 4-[4-[2-(1,3-benzodioxol-5-ylamino)-1-cyclopentyl-2-oxoethyl]piperazin-1-yl]-4-oxobutanoate
CID 46027631
(2S)-1-(4-acetylpiperazin-1-yl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]ethanone
CID 93208410
N-butan-2-yl-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide
CID 46024308
(2S)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 93209781
2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 37446575

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of (2R)-N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide (CID 93222111) is (2R)-N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for (2R)-N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for (2R)-N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide is O=C(Nc1ccc2c(c1)OCO2)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of (2R)-N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide?
The InChIKey is HPDRMKJQBPVNFL-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H27Cl2N3O4/c26-17-5-7-19(20(27)13-17)25(32)30-11-9-29(10-12-30)23(16-3-1-2-4-16)24(31)28-18-6-8-21-22(14-18)34-15-33-21/h5-8,13-14,16,23H,1-4,9-12,15H2,(H,28,31)/t23-/m1/s1.
What are the key properties of (2R)-N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide?
(2R)-N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide has a molecular weight of 504.41 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 93222111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).