(2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenylacetamide

C24H23N3O5 — CID 93156016

IUPAC(2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenylacetamide
SMILESO=C(Nc1ccc2c(c1)OCO2)[C@@H](c1ccccc1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C24H23N3O5/c28-23(25-18-8-9-19-21(15-18)32-16-31-19)22(17-5-2-1-3-6-17)26-10-12-27(13-11-26)24(29)20-7-4-14-30-20/h1-9,14-15,22H,10-13,16H2,(H,25,28)/t22-/m1/s1
InChIKeyFGNVBGDWLOIXEZ-JOCHJYFZSA-N
MW433.46 g/mol
LogP3.15
Rot. Bonds5

About (2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenylacetamide

(2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenylacetamide (PubChem CID 93156016) has the molecular formula C24H23N3O5 and a molecular weight of 433.46 g/mol. Its IUPAC name is (2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenylacetamide
PubChem CID93156016
Molecular FormulaC24H23N3O5
Molecular Weight433.46 g/mol
Exact Mass433.16
IUPAC Name(2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenylacetamide
SMILESO=C(Nc1ccc2c(c1)OCO2)[C@@H](c1ccccc1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C24H23N3O5/c28-23(25-18-8-9-19-21(15-18)32-16-31-19)22(17-5-2-1-3-6-17)26-10-12-27(13-11-26)24(29)20-7-4-14-30-20/h1-9,14-15,22H,10-13,16H2,(H,25,28)/t22-/m1/s1
InChIKeyFGNVBGDWLOIXEZ-JOCHJYFZSA-N
XLogP3.15
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-[(S)-furan-2-yl(phenyl)methyl]azanium
CID 8755309
N-[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 40939082
N-(1,3-benzodioxol-5-yl)-1-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]piperidine-4-carboxamide
CID 8995848
(2R)-N-(1,3-benzodioxol-5-yl)-2-chloro-2-phenylacetamide
CID 93239229
(2R)-N-(1,3-benzodioxol-5-yl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755316
(2R)-N-(1,3-benzodioxol-5-yl)-2-(dibenzylamino)-2-phenylacetamide
CID 94233315
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(1-phenylethyl)propanamide
CID 46162177
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide
CID 4881494
(2S)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[3-(methylcarbamoyl)phenyl]acetic acid
CID 97197927
N-(1,3-benzodioxol-5-yl)-3-phenyl-2-sulfanylpropanamide
CID 107021832
1,3-benzodioxol-5-yl-[4-[(1S)-1,2-diphenylethyl]piperazin-1-yl]methanone
CID 143935519
N-(4-methylphenyl)-2-phenyl-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]acetamide
CID 17459059

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenylacetamide?
The IUPAC name of (2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenylacetamide (CID 93156016) is (2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenylacetamide.
What is the SMILES notation for (2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenylacetamide?
The canonical SMILES for (2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenylacetamide is O=C(Nc1ccc2c(c1)OCO2)[C@@H](c1ccccc1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of (2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenylacetamide?
The InChIKey is FGNVBGDWLOIXEZ-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H23N3O5/c28-23(25-18-8-9-19-21(15-18)32-16-31-19)22(17-5-2-1-3-6-17)26-10-12-27(13-11-26)24(29)20-7-4-14-30-20/h1-9,14-15,22H,10-13,16H2,(H,25,28)/t22-/m1/s1.
What are the key properties of (2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenylacetamide?
(2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenylacetamide has a molecular weight of 433.46 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 93156016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).