(4-methoxythiophen-2-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone

C15H22N2O2S — CID 81118490

IUPAC(4-methoxythiophen-2-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESCOc1csc(C(=O)N2CCCCC2C2CCCN2)c1
InChIInChI=1S/C15H22N2O2S/c1-19-11-9-14(20-10-11)15(18)17-8-3-2-6-13(17)12-5-4-7-16-12/h9-10,12-13,16H,2-8H2,1H3
InChIKeyPHNUOJAQDPMNJB-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.50
Rot. Bonds3

About (4-methoxythiophen-2-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone

(4-methoxythiophen-2-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone (PubChem CID 81118490) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is (4-methoxythiophen-2-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-methoxythiophen-2-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
PubChem CID81118490
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name(4-methoxythiophen-2-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESCOc1csc(C(=O)N2CCCCC2C2CCCN2)c1
InChIInChI=1S/C15H22N2O2S/c1-19-11-9-14(20-10-11)15(18)17-8-3-2-6-13(17)12-5-4-7-16-12/h9-10,12-13,16H,2-8H2,1H3
InChIKeyPHNUOJAQDPMNJB-UHFFFAOYSA-N
XLogP2.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methoxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63256589
(3-methoxyphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 62273189
(2-methyl-1,3-thiazol-4-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 65198464
[2-(2-chloroethyl)piperidin-1-yl]-(4-methoxythiophen-2-yl)methanone
CID 81129656
ethyl 1-(4-methoxythiophene-2-carbonyl)piperidine-2-carboxylate
CID 79461401
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-methoxythiophen-2-yl)methanone
CID 81122202
(4-methoxythiophen-2-yl)-piperidin-1-ylmethanone
CID 79459949
(4-methylthiadiazol-5-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63256583
(2,6-dihydroxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 107690258
(4-bromo-1-methylpyrrol-2-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63256413
(5-nitrothiophen-2-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63256853
1-(2-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one
CID 63256717

Frequently Asked Questions

What is the IUPAC name of (4-methoxythiophen-2-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (4-methoxythiophen-2-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone (CID 81118490) is (4-methoxythiophen-2-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-methoxythiophen-2-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (4-methoxythiophen-2-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone is COc1csc(C(=O)N2CCCCC2C2CCCN2)c1.
What is the InChIKey of (4-methoxythiophen-2-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The InChIKey is PHNUOJAQDPMNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-19-11-9-14(20-10-11)15(18)17-8-3-2-6-13(17)12-5-4-7-16-12/h9-10,12-13,16H,2-8H2,1H3.
What are the key properties of (4-methoxythiophen-2-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone?
(4-methoxythiophen-2-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone has a molecular weight of 294.42 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxythiophen-2-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 81118490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).