1-(3-ethylthiophene-2-carbonyl)piperidine-2-carbonitrile

C13H16N2OS — CID 79975737

IUPAC1-(3-ethylthiophene-2-carbonyl)piperidine-2-carbonitrile
SMILESCCc1ccsc1C(=O)N1CCCCC1C#N
InChIInChI=1S/C13H16N2OS/c1-2-10-6-8-17-12(10)13(16)15-7-4-3-5-11(15)9-14/h6,8,11H,2-5,7H2,1H3
InChIKeyUINRXBPITHDFEE-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.83
Rot. Bonds2

About 1-(3-ethylthiophene-2-carbonyl)piperidine-2-carbonitrile

1-(3-ethylthiophene-2-carbonyl)piperidine-2-carbonitrile (PubChem CID 79975737) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-(3-ethylthiophene-2-carbonyl)piperidine-2-carbonitrile.

Molecular Properties

Compound Name1-(3-ethylthiophene-2-carbonyl)piperidine-2-carbonitrile
PubChem CID79975737
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name1-(3-ethylthiophene-2-carbonyl)piperidine-2-carbonitrile
SMILESCCc1ccsc1C(=O)N1CCCCC1C#N
InChIInChI=1S/C13H16N2OS/c1-2-10-6-8-17-12(10)13(16)15-7-4-3-5-11(15)9-14/h6,8,11H,2-5,7H2,1H3
InChIKeyUINRXBPITHDFEE-UHFFFAOYSA-N
XLogP2.83
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(3-ethylthiophene-2-carbonyl)piperidine-2-carboxylic acid
CID 66264413
1-(3-methoxythiophene-2-carbonyl)pyrrolidine-2-carbonitrile
CID 81122408
(3-ethylthiophen-2-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636453
(3-ethylthiophen-2-yl)-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrrolidin-1-yl]methanone
CID 56818508
cyclopentyl-(3-ethylthiophen-2-yl)methanone
CID 114962290
1-(3-ethylthiophene-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79364426
2-cyano-N-ethyl-N-methylpiperidine-1-carboxamide
CID 79159844
1-(3-ethylthiophene-2-carbonyl)piperidine-4-carbothioamide
CID 79975013
1-(3-ethylthiophene-2-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083600
(2R)-1-[3-(methoxymethyl)thiophene-2-carbonyl]piperidine-2-carboxylic acid
CID 120537327
(3-chloropiperidin-1-yl)-(3-ethylthiophen-2-yl)methanone
CID 79974966
(2S)-1-acetylazepane-2-carbonitrile
CID 125042026

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylthiophene-2-carbonyl)piperidine-2-carbonitrile?
The IUPAC name of 1-(3-ethylthiophene-2-carbonyl)piperidine-2-carbonitrile (CID 79975737) is 1-(3-ethylthiophene-2-carbonyl)piperidine-2-carbonitrile.
What is the SMILES notation for 1-(3-ethylthiophene-2-carbonyl)piperidine-2-carbonitrile?
The canonical SMILES for 1-(3-ethylthiophene-2-carbonyl)piperidine-2-carbonitrile is CCc1ccsc1C(=O)N1CCCCC1C#N.
What is the InChIKey of 1-(3-ethylthiophene-2-carbonyl)piperidine-2-carbonitrile?
The InChIKey is UINRXBPITHDFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-2-10-6-8-17-12(10)13(16)15-7-4-3-5-11(15)9-14/h6,8,11H,2-5,7H2,1H3.
What are the key properties of 1-(3-ethylthiophene-2-carbonyl)piperidine-2-carbonitrile?
1-(3-ethylthiophene-2-carbonyl)piperidine-2-carbonitrile has a molecular weight of 248.35 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylthiophene-2-carbonyl)piperidine-2-carbonitrile is sourced from PubChem (CID 79975737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).