[1-(furan-2-carbonyl)piperidin-3-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone

C19H22N2O3S — CID 43045608

IUPAC[1-(furan-2-carbonyl)piperidin-3-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccco1)N1CCCC(C(=O)N2CCCC2c2cccs2)C1
InChIInChI=1S/C19H22N2O3S/c22-18(21-10-2-6-15(21)17-8-4-12-25-17)14-5-1-9-20(13-14)19(23)16-7-3-11-24-16/h3-4,7-8,11-12,14-15H,1-2,5-6,9-10,13H2
InChIKeyVSICRUJDKOUIQH-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.56
Rot. Bonds3

About [1-(furan-2-carbonyl)piperidin-3-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone

[1-(furan-2-carbonyl)piperidin-3-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone (PubChem CID 43045608) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is [1-(furan-2-carbonyl)piperidin-3-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(furan-2-carbonyl)piperidin-3-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
PubChem CID43045608
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name[1-(furan-2-carbonyl)piperidin-3-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccco1)N1CCCC(C(=O)N2CCCC2c2cccs2)C1
InChIInChI=1S/C19H22N2O3S/c22-18(21-10-2-6-15(21)17-8-4-12-25-17)14-5-1-9-20(13-14)19(23)16-7-3-11-24-16/h3-4,7-8,11-12,14-15H,1-2,5-6,9-10,13H2
InChIKeyVSICRUJDKOUIQH-UHFFFAOYSA-N
XLogP3.56
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]piperidine-1-carboxamide
CID 94184145
[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 51930904
[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 99855360
(3R)-1-(furan-2-carbonyl)-N-[(1R)-1-thiophen-2-ylethyl]piperidine-3-carboxamide
CID 32613901
3,4-dihydro-1H-isoquinolin-2-yl-[1-(furan-2-carbonyl)piperidin-3-yl]methanone
CID 46515588
3,4-dihydro-1H-isoquinolin-2-yl-[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]methanone
CID 32615042
[(1R,2S)-2-(furan-2-yl)cyclopropyl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 94215126
[1-(furan-3-carbonyl)piperidin-4-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 134048550
azepan-1-yl(furan-2-yl)methanone
CID 5200992
(3-chloropiperidin-1-yl)-(furan-2-yl)methanone
CID 63392823
3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103550294
(3R)-1-(furan-2-carbonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 51930797

Frequently Asked Questions

What is the IUPAC name of [1-(furan-2-carbonyl)piperidin-3-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of [1-(furan-2-carbonyl)piperidin-3-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone (CID 43045608) is [1-(furan-2-carbonyl)piperidin-3-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [1-(furan-2-carbonyl)piperidin-3-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for [1-(furan-2-carbonyl)piperidin-3-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone is O=C(c1ccco1)N1CCCC(C(=O)N2CCCC2c2cccs2)C1.
What is the InChIKey of [1-(furan-2-carbonyl)piperidin-3-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is VSICRUJDKOUIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c22-18(21-10-2-6-15(21)17-8-4-12-25-17)14-5-1-9-20(13-14)19(23)16-7-3-11-24-16/h3-4,7-8,11-12,14-15H,1-2,5-6,9-10,13H2.
What are the key properties of [1-(furan-2-carbonyl)piperidin-3-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
[1-(furan-2-carbonyl)piperidin-3-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 358.46 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(furan-2-carbonyl)piperidin-3-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 43045608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).