N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-2-methylpropanamide

C16H21N3O2S — CID 654813

IUPACN-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-2-methylpropanamide
SMILESCc1c(C(=O)N2CCCCC2)sc(NC(=O)C(C)C)c1C#N
InChIInChI=1S/C16H21N3O2S/c1-10(2)14(20)18-15-12(9-17)11(3)13(22-15)16(21)19-7-5-4-6-8-19/h10H,4-8H2,1-3H3,(H,18,20)
InChIKeyHNJMGXUKXWYMAT-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.15
Rot. Bonds3

About N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-2-methylpropanamide

N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-2-methylpropanamide (PubChem CID 654813) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-2-methylpropanamide
PubChem CID654813
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC NameN-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-2-methylpropanamide
SMILESCc1c(C(=O)N2CCCCC2)sc(NC(=O)C(C)C)c1C#N
InChIInChI=1S/C16H21N3O2S/c1-10(2)14(20)18-15-12(9-17)11(3)13(22-15)16(21)19-7-5-4-6-8-19/h10H,4-8H2,1-3H3,(H,18,20)
InChIKeyHNJMGXUKXWYMAT-UHFFFAOYSA-N
XLogP3.15
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Chloro-N-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)-thiophen-2-yl]-acetamide
CID 828995
N-[3-Cyano-4-methyl-5-(morpholine-4-carbonyl)-thiophen-2-yl]-isobutyramide
CID 828996
5-amino-4-cyano-N,N-diethyl-3-methylthiophene-2-carboxamide
CID 673648
Methyl [4-ethyl-5-methyl-3-(1-piperidinylcarbonyl)-2-thienyl]carbamate
CID 1245049
Ethyl {[3-cyano-4-methyl-5-(morpholin-4-ylcarbonyl)thien-2-yl]amino}(oxo)acetate
CID 3141694
6-acetyl-2-(cyclohexanecarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4462502
6-acetyl-2-(propanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4583251
2-(Cyclohexanecarboxamido)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide hydrochloride
CID 16798289
N-[5-(N,N-diethylcarbamoyl)-3-cyano-4-methyl(2-thienyl)]-2-methylpropanamide
CID 829009
2-Amino-4-methyl-5-(piperidin-1-ylcarbonyl)thiophene-3-carbonitrile
CID 685920
5-amino-4-cyano-N-cyclohexyl-N-ethyl-3-methyl-2-thiophenecarboxamide
CID 869161
6-acetyl-2-(cyclopropanecarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4623325

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-2-methylpropanamide?
The IUPAC name of N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-2-methylpropanamide (CID 654813) is N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-2-methylpropanamide is Cc1c(C(=O)N2CCCCC2)sc(NC(=O)C(C)C)c1C#N.
What is the InChIKey of N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-2-methylpropanamide?
The InChIKey is HNJMGXUKXWYMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-10(2)14(20)18-15-12(9-17)11(3)13(22-15)16(21)19-7-5-4-6-8-19/h10H,4-8H2,1-3H3,(H,18,20).
What are the key properties of N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-2-methylpropanamide?
N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-2-methylpropanamide has a molecular weight of 319.43 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-2-methylpropanamide is sourced from PubChem (CID 654813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).