N-cyclopentyl-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide

C24H35N3O4S — CID 30627398

IUPACN-cyclopentyl-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
SMILESO=C(CN1CCN(Cc2ccc3c(c2)CCO3)CC1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C24H35N3O4S/c28-24(27(21-3-1-2-4-21)22-8-14-32(29,30)18-22)17-26-11-9-25(10-12-26)16-19-5-6-23-20(15-19)7-13-31-23/h5-6,15,21-22H,1-4,7-14,16-18H2/t22-/m0/s1
InChIKeyAVHFXSLGGGLXCI-QFIPXVFZSA-N
MW461.63 g/mol
LogP1.70
Rot. Bonds6

About N-cyclopentyl-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide

N-cyclopentyl-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide (PubChem CID 30627398) has the molecular formula C24H35N3O4S and a molecular weight of 461.63 g/mol. Its IUPAC name is N-cyclopentyl-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
PubChem CID30627398
Molecular FormulaC24H35N3O4S
Molecular Weight461.63 g/mol
Exact Mass461.23
IUPAC NameN-cyclopentyl-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
SMILESO=C(CN1CCN(Cc2ccc3c(c2)CCO3)CC1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C24H35N3O4S/c28-24(27(21-3-1-2-4-21)22-8-14-32(29,30)18-22)17-26-11-9-25(10-12-26)16-19-5-6-23-20(15-19)7-13-31-23/h5-6,15,21-22H,1-4,7-14,16-18H2/t22-/m0/s1
InChIKeyAVHFXSLGGGLXCI-QFIPXVFZSA-N
XLogP1.70
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.63
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 30633266
1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]ethanone
CID 30638446
2-(4-acetylpiperazin-1-yl)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 55353747
2-(4-benzhydrylpiperazin-1-yl)-N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 30633733
3-(N-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetyl]-4-fluoroanilino)propanamide
CID 55471071
(3aR,7aR)-2-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 9324129
4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carboxamide
CID 94017263
N-(1-acetylpiperidin-4-yl)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetamide
CID 55446267
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 110774382
2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 17489894
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 55382251
2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 31000776

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide (CID 30627398) is N-cyclopentyl-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide is O=C(CN1CCN(Cc2ccc3c(c2)CCO3)CC1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-cyclopentyl-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
The InChIKey is AVHFXSLGGGLXCI-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H35N3O4S/c28-24(27(21-3-1-2-4-21)22-8-14-32(29,30)18-22)17-26-11-9-25(10-12-26)16-19-5-6-23-20(15-19)7-13-31-23/h5-6,15,21-22H,1-4,7-14,16-18H2/t22-/m0/s1.
What are the key properties of N-cyclopentyl-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
N-cyclopentyl-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide has a molecular weight of 461.63 g/mol, XLogP of 1.70, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide is sourced from PubChem (CID 30627398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).