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

C15H19N3O2S — CID 655573

IUPACN-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]propanamide
SMILESCCC(=O)Nc1sc(C(=O)N2CCCCC2)c(C)c1C#N
InChIInChI=1S/C15H19N3O2S/c1-3-12(19)17-14-11(9-16)10(2)13(21-14)15(20)18-7-5-4-6-8-18/h3-8H2,1-2H3,(H,17,19)
InChIKeyFXWKYGYAPHXYIH-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.90
Rot. Bonds3

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

N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]propanamide (PubChem CID 655573) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]propanamide.

Molecular Properties

Compound NameN-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]propanamide
PubChem CID655573
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]propanamide
SMILESCCC(=O)Nc1sc(C(=O)N2CCCCC2)c(C)c1C#N
InChIInChI=1S/C15H19N3O2S/c1-3-12(19)17-14-11(9-16)10(2)13(21-14)15(20)18-7-5-4-6-8-18/h3-8H2,1-2H3,(H,17,19)
InChIKeyFXWKYGYAPHXYIH-UHFFFAOYSA-N
XLogP2.90
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-methyl-2-(propanoylamino)-5-(pyrrolidine-1-carbonyl)thiophene-3-carboxylate
CID 17063743
2-chloro-N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]benzamide
CID 1131109
N-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]-4-methoxybenzamide
CID 1131597
N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-3-methoxybenzamide
CID 1131058
ethyl 2-[[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]amino]-2-oxoacetate
CID 3141694
ethyl 2-(butanoylamino)-4-methyl-5-(pyrrolidine-1-carbonyl)thiophene-3-carboxylate
CID 17062357
N,N'-bis[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]butanediamide
CID 4609681
N-(5-acetyl-3-cyano-4-methylthiophen-2-yl)-2-(4-methylpiperazin-1-yl)acetamide
CID 126390030
ethyl 2-(cyclopropanecarbonylamino)-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carboxylate
CID 17064171
4-amino-2-methyl-5-(piperidine-1-carbonyl)thiophene-3-carbonitrile
CID 91895189
ethyl 4-cyano-3-methyl-5-[(2-methylsulfanylacetyl)amino]thiophene-2-carboxylate
CID 123304418
N-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]-2-fluorobenzamide
CID 1130935

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]propanamide?
The IUPAC name of N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]propanamide (CID 655573) is N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]propanamide.
What is the SMILES notation for N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]propanamide?
The canonical SMILES for N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]propanamide is CCC(=O)Nc1sc(C(=O)N2CCCCC2)c(C)c1C#N.
What is the InChIKey of N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]propanamide?
The InChIKey is FXWKYGYAPHXYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-3-12(19)17-14-11(9-16)10(2)13(21-14)15(20)18-7-5-4-6-8-18/h3-8H2,1-2H3,(H,17,19).
What are the key properties of N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]propanamide?
N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]propanamide has a molecular weight of 305.40 g/mol, XLogP of 2.90, 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]propanamide is sourced from PubChem (CID 655573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).