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

C26H31N3O4 — CID 93222100

IUPAC(2R)-N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide
SMILESCc1ccc(C(=O)N2CCN([C@@H](C(=O)Nc3ccc4c(c3)OCO4)C3CCCC3)CC2)cc1
InChIInChI=1S/C26H31N3O4/c1-18-6-8-20(9-7-18)26(31)29-14-12-28(13-15-29)24(19-4-2-3-5-19)25(30)27-21-10-11-22-23(16-21)33-17-32-22/h6-11,16,19,24H,2-5,12-15,17H2,1H3,(H,27,30)/t24-/m1/s1
InChIKeyYKMNOPDMYXOACJ-XMMPIXPASA-N
MW449.55 g/mol
LogP3.68
Rot. Bonds5

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

(2R)-N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide (PubChem CID 93222100) has the molecular formula C26H31N3O4 and a molecular weight of 449.55 g/mol. Its IUPAC name is (2R)-N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name(2R)-N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide
PubChem CID93222100
Molecular FormulaC26H31N3O4
Molecular Weight449.55 g/mol
Exact Mass449.23
IUPAC Name(2R)-N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide
SMILESCc1ccc(C(=O)N2CCN([C@@H](C(=O)Nc3ccc4c(c3)OCO4)C3CCCC3)CC2)cc1
InChIInChI=1S/C26H31N3O4/c1-18-6-8-20(9-7-18)26(31)29-14-12-28(13-15-29)24(19-4-2-3-5-19)25(30)27-21-10-11-22-23(16-21)33-17-32-22/h6-11,16,19,24H,2-5,12-15,17H2,1H3,(H,27,30)/t24-/m1/s1
InChIKeyYKMNOPDMYXOACJ-XMMPIXPASA-N
XLogP3.68
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide with MolForge

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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
(2S)-N-(1,3-benzodioxol-5-yl)-2-[4-(3-bromobenzoyl)piperazin-1-yl]-2-cyclopentylacetamide
CID 93222109
methyl 4-[2-(1,3-benzodioxol-5-ylamino)-1-cyclopentyl-2-oxoethyl]piperazine-1-carboxylate
CID 46153431
2-cyclopentyl-N-(3-fluorophenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide
CID 42843657
(2R)-N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide
CID 93222111
N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]acetamide
CID 46027634
ethyl 4-[4-[2-(1,3-benzodioxol-5-ylamino)-1-cyclopentyl-2-oxoethyl]piperazin-1-yl]-4-oxobutanoate
CID 46027631
2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-N-butan-2-yl-2-cyclopentylacetamide
CID 42842485
(2S)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-methylphenyl)acetamide
CID 93221756
2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-2-cyclopentyl-N-prop-2-enylacetamide
CID 46024558
2-cyclopentyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 46027437

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of (2R)-N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide (CID 93222100) is (2R)-N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for (2R)-N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for (2R)-N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide is Cc1ccc(C(=O)N2CCN([C@@H](C(=O)Nc3ccc4c(c3)OCO4)C3CCCC3)CC2)cc1.
What is the InChIKey of (2R)-N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide?
The InChIKey is YKMNOPDMYXOACJ-XMMPIXPASA-N. The full InChI is InChI=1S/C26H31N3O4/c1-18-6-8-20(9-7-18)26(31)29-14-12-28(13-15-29)24(19-4-2-3-5-19)25(30)27-21-10-11-22-23(16-21)33-17-32-22/h6-11,16,19,24H,2-5,12-15,17H2,1H3,(H,27,30)/t24-/m1/s1.
What are the key properties of (2R)-N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide?
(2R)-N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide has a molecular weight of 449.55 g/mol, XLogP of 3.68, 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-(4-methylbenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 93222100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).