[1-(furan-3-carbonyl)piperidin-4-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone

C19H22N2O3S — CID 134048550

IUPAC[1-(furan-3-carbonyl)piperidin-4-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccoc1)N1CCC(C(=O)N2CCCC2c2cccs2)CC1
InChIInChI=1S/C19H22N2O3S/c22-18(15-7-11-24-13-15)20-9-5-14(6-10-20)19(23)21-8-1-3-16(21)17-4-2-12-25-17/h2,4,7,11-14,16H,1,3,5-6,8-10H2
InChIKeyAMNBLLAVJDQVDD-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.56
Rot. Bonds3

About [1-(furan-3-carbonyl)piperidin-4-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone

[1-(furan-3-carbonyl)piperidin-4-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone (PubChem CID 134048550) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is [1-(furan-3-carbonyl)piperidin-4-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(furan-3-carbonyl)piperidin-4-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
PubChem CID134048550
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name[1-(furan-3-carbonyl)piperidin-4-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccoc1)N1CCC(C(=O)N2CCCC2c2cccs2)CC1
InChIInChI=1S/C19H22N2O3S/c22-18(15-7-11-24-13-15)20-9-5-14(6-10-20)19(23)21-8-1-3-16(21)17-4-2-12-25-17/h2,4,7,11-14,16H,1,3,5-6,8-10H2
InChIKeyAMNBLLAVJDQVDD-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

3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103550294
[1-(furan-2-carbonyl)piperidin-3-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 43045608
(3S)-3-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]piperidine-1-carboxamide
CID 94184145
1-(furan-3-carbonyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 134048432
5-(2-thiophen-2-ylpyrrolidine-1-carbonyl)piperidin-2-one
CID 51081806
[1-(furan-3-carbonyl)piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 35503421
(6-methyl-3-pyridinyl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 29284515
[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]-[(3S)-1-(furan-3-carbonyl)piperidin-3-yl]methanone
CID 30839694
[2-(chloromethyl)pyrrolidin-1-yl]-(furan-3-yl)methanone
CID 63394223
(2-methylpyrrolidin-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 79388678
[4-(dimethylamino)phenyl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 30035561
(2-chlorofuran-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 106686175

Frequently Asked Questions

What is the IUPAC name of [1-(furan-3-carbonyl)piperidin-4-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of [1-(furan-3-carbonyl)piperidin-4-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone (CID 134048550) is [1-(furan-3-carbonyl)piperidin-4-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [1-(furan-3-carbonyl)piperidin-4-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for [1-(furan-3-carbonyl)piperidin-4-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone is O=C(c1ccoc1)N1CCC(C(=O)N2CCCC2c2cccs2)CC1.
What is the InChIKey of [1-(furan-3-carbonyl)piperidin-4-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is AMNBLLAVJDQVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c22-18(15-7-11-24-13-15)20-9-5-14(6-10-20)19(23)21-8-1-3-16(21)17-4-2-12-25-17/h2,4,7,11-14,16H,1,3,5-6,8-10H2.
What are the key properties of [1-(furan-3-carbonyl)piperidin-4-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
[1-(furan-3-carbonyl)piperidin-4-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-3-carbonyl)piperidin-4-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 134048550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).