[(3R)-3-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone

C21H23NO3S — CID 100719123

IUPAC[(3R)-3-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
SMILESO=C(N1CC[C@H](c2ccc3c(c2)OCO3)C1)C1(c2cccs2)CCCC1
InChIInChI=1S/C21H23NO3S/c23-20(21(8-1-2-9-21)19-4-3-11-26-19)22-10-7-16(13-22)15-5-6-17-18(12-15)25-14-24-17/h3-6,11-12,16H,1-2,7-10,13-14H2/t16-/m0/s1
InChIKeyQXBPZYVLWXOALL-INIZCTEOSA-N
MW369.49 g/mol
LogP4.30
Rot. Bonds3

About [(3R)-3-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone

[(3R)-3-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone (PubChem CID 100719123) has the molecular formula C21H23NO3S and a molecular weight of 369.49 g/mol. Its IUPAC name is [(3R)-3-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone.

Molecular Properties

Compound Name[(3R)-3-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
PubChem CID100719123
Molecular FormulaC21H23NO3S
Molecular Weight369.49 g/mol
Exact Mass369.14
IUPAC Name[(3R)-3-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
SMILESO=C(N1CC[C@H](c2ccc3c(c2)OCO3)C1)C1(c2cccs2)CCCC1
InChIInChI=1S/C21H23NO3S/c23-20(21(8-1-2-9-21)19-4-3-11-26-19)22-10-7-16(13-22)15-5-6-17-18(12-15)25-14-24-17/h3-6,11-12,16H,1-2,7-10,13-14H2/t16-/m0/s1
InChIKeyQXBPZYVLWXOALL-INIZCTEOSA-N
XLogP4.30
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3R)-3-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone with MolForge

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Related Compounds

(3-phenylazepan-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
CID 121130907
(4-methylpiperidin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
CID 42435504
[(3R)-3-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 100718843
(3-aminopiperidin-1-yl)-(1-thiophen-2-ylcyclohexyl)methanone
CID 119380014
1-(1-thiophen-2-ylcyclopentanecarbonyl)piperidine-4-carboxamide
CID 42435653
[(3R)-3-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]-(2-chlorophenyl)methanone
CID 94919298
[(3R)-3-(benzenesulfonyl)pyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
CID 97354893
[3-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclohexyl)methanone;hydrochloride
CID 119595244
[4-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclohexyl)methanone;hydrochloride
CID 119519335
morpholin-4-yl-(1-thiophen-2-ylcyclopropyl)methanone
CID 30944617
(1-aminocyclopropyl)-[(3S,4S)-4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]methanone;hydrochloride
CID 154886027
[(3S)-3-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]-[(1S)-cyclohex-3-en-1-yl]methanone
CID 100719254

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
The IUPAC name of [(3R)-3-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone (CID 100719123) is [(3R)-3-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone.
What is the SMILES notation for [(3R)-3-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
The canonical SMILES for [(3R)-3-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone is O=C(N1CC[C@H](c2ccc3c(c2)OCO3)C1)C1(c2cccs2)CCCC1.
What is the InChIKey of [(3R)-3-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
The InChIKey is QXBPZYVLWXOALL-INIZCTEOSA-N. The full InChI is InChI=1S/C21H23NO3S/c23-20(21(8-1-2-9-21)19-4-3-11-26-19)22-10-7-16(13-22)15-5-6-17-18(12-15)25-14-24-17/h3-6,11-12,16H,1-2,7-10,13-14H2/t16-/m0/s1.
What are the key properties of [(3R)-3-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
[(3R)-3-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone has a molecular weight of 369.49 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone is sourced from PubChem (CID 100719123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).