1-(3-methoxythiophene-2-carbonyl)piperidine-4-carbonitrile

C12H14N2O2S — CID 78945788

IUPAC1-(3-methoxythiophene-2-carbonyl)piperidine-4-carbonitrile
SMILESCOc1ccsc1C(=O)N1CCC(C#N)CC1
InChIInChI=1S/C12H14N2O2S/c1-16-10-4-7-17-11(10)12(15)14-5-2-9(8-13)3-6-14/h4,7,9H,2-3,5-6H2,1H3
InChIKeyUOGOYSOKTZBFOS-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.13
Rot. Bonds2

About 1-(3-methoxythiophene-2-carbonyl)piperidine-4-carbonitrile

1-(3-methoxythiophene-2-carbonyl)piperidine-4-carbonitrile (PubChem CID 78945788) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 1-(3-methoxythiophene-2-carbonyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(3-methoxythiophene-2-carbonyl)piperidine-4-carbonitrile
PubChem CID78945788
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name1-(3-methoxythiophene-2-carbonyl)piperidine-4-carbonitrile
SMILESCOc1ccsc1C(=O)N1CCC(C#N)CC1
InChIInChI=1S/C12H14N2O2S/c1-16-10-4-7-17-11(10)12(15)14-5-2-9(8-13)3-6-14/h4,7,9H,2-3,5-6H2,1H3
InChIKeyUOGOYSOKTZBFOS-UHFFFAOYSA-N
XLogP2.13
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(aminomethyl)piperidin-1-yl]-(3-methoxythiophen-2-yl)methanone
CID 81122977
[4-(chloromethyl)piperidin-1-yl]-(3-methoxythiophen-2-yl)methanone
CID 81129658
1-(3-methoxythiophene-2-carbonyl)pyrrolidine-2-carbonitrile
CID 81122408
[3-(aminomethyl)pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone;hydrochloride
CID 119484103
methyl 1-(3-methoxythiophene-2-carbonyl)pyrrolidine-3-carboxylate
CID 78945614
(3-methoxythiophen-2-yl)-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124596275
1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonitrile
CID 49064321
2-[4-(3-methoxythiophene-2-carbonyl)piperazin-1-yl]ethanethioamide
CID 81122141
2-[4-(3-methoxythiophene-2-carbonyl)piperazin-1-yl]propanoic acid
CID 81127305
(3-hydroxy-3-methylazetidin-1-yl)-(3-methoxythiophen-2-yl)methanone
CID 81121651
(3-methoxythiophen-2-yl)-(3-methyl-1,4-diazepan-1-yl)methanone
CID 82245290
[3-(2-bromoethyl)piperidin-1-yl]-(3-methoxythiophen-2-yl)methanone
CID 81129209

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxythiophene-2-carbonyl)piperidine-4-carbonitrile?
The IUPAC name of 1-(3-methoxythiophene-2-carbonyl)piperidine-4-carbonitrile (CID 78945788) is 1-(3-methoxythiophene-2-carbonyl)piperidine-4-carbonitrile.
What is the SMILES notation for 1-(3-methoxythiophene-2-carbonyl)piperidine-4-carbonitrile?
The canonical SMILES for 1-(3-methoxythiophene-2-carbonyl)piperidine-4-carbonitrile is COc1ccsc1C(=O)N1CCC(C#N)CC1.
What is the InChIKey of 1-(3-methoxythiophene-2-carbonyl)piperidine-4-carbonitrile?
The InChIKey is UOGOYSOKTZBFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-16-10-4-7-17-11(10)12(15)14-5-2-9(8-13)3-6-14/h4,7,9H,2-3,5-6H2,1H3.
What are the key properties of 1-(3-methoxythiophene-2-carbonyl)piperidine-4-carbonitrile?
1-(3-methoxythiophene-2-carbonyl)piperidine-4-carbonitrile has a molecular weight of 250.32 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxythiophene-2-carbonyl)piperidine-4-carbonitrile is sourced from PubChem (CID 78945788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).