2-methyl-2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]propanenitrile

C14H19N3OS — CID 60692988

IUPAC2-methyl-2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]propanenitrile
SMILESCc1ccsc1C(=O)N1CCN(C(C)(C)C#N)CC1
InChIInChI=1S/C14H19N3OS/c1-11-4-9-19-12(11)13(18)16-5-7-17(8-6-16)14(2,3)10-15/h4,9H,5-8H2,1-3H3
InChIKeyNXPYGGLZTRTXMB-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.12
Rot. Bonds2

About 2-methyl-2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]propanenitrile

2-methyl-2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]propanenitrile (PubChem CID 60692988) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-methyl-2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]propanenitrile.

Molecular Properties

Compound Name2-methyl-2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]propanenitrile
PubChem CID60692988
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name2-methyl-2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]propanenitrile
SMILESCc1ccsc1C(=O)N1CCN(C(C)(C)C#N)CC1
InChIInChI=1S/C14H19N3OS/c1-11-4-9-19-12(11)13(18)16-5-7-17(8-6-16)14(2,3)10-15/h4,9H,5-8H2,1-3H3
InChIKeyNXPYGGLZTRTXMB-UHFFFAOYSA-N
XLogP2.12
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylthiophene-2-carbonyl)piperidin-4-one
CID 24696594
1-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55470352
2-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]-2-methylpropanenitrile
CID 60693017
2-[4-(3,4-dihydroxybenzoyl)piperazin-1-yl]-2-methylpropanenitrile
CID 107728338
1-(3-methylthiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 24704942
(4-aminopiperidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride
CID 71638229
2-methyl-2-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]propanenitrile
CID 65215302
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 9239713
(4-methoxyphenyl)-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]methanone
CID 25473895
2-[4-(2-fluoro-6-hydroxybenzoyl)piperazin-1-yl]-2-methylpropanenitrile
CID 107014819
1-[2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 146083454
2-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-2-methylpropanenitrile
CID 66128825

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]propanenitrile?
The IUPAC name of 2-methyl-2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]propanenitrile (CID 60692988) is 2-methyl-2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]propanenitrile.
What is the SMILES notation for 2-methyl-2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]propanenitrile?
The canonical SMILES for 2-methyl-2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]propanenitrile is Cc1ccsc1C(=O)N1CCN(C(C)(C)C#N)CC1.
What is the InChIKey of 2-methyl-2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]propanenitrile?
The InChIKey is NXPYGGLZTRTXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-11-4-9-19-12(11)13(18)16-5-7-17(8-6-16)14(2,3)10-15/h4,9H,5-8H2,1-3H3.
What are the key properties of 2-methyl-2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]propanenitrile?
2-methyl-2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]propanenitrile has a molecular weight of 277.39 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]propanenitrile is sourced from PubChem (CID 60692988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).