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

C16H19N3O2S — CID 650633

IUPACN-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide
SMILESCc1c(C(=O)N2CCCCC2)sc(NC(=O)C2CC2)c1C#N
InChIInChI=1S/C16H19N3O2S/c1-10-12(9-17)15(18-14(20)11-5-6-11)22-13(10)16(21)19-7-3-2-4-8-19/h11H,2-8H2,1H3,(H,18,20)
InChIKeyYYFOVNBEARVTLY-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.90
Rot. Bonds3

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

N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide (PubChem CID 650633) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide
PubChem CID650633
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide
SMILESCc1c(C(=O)N2CCCCC2)sc(NC(=O)C2CC2)c1C#N
InChIInChI=1S/C16H19N3O2S/c1-10-12(9-17)15(18-14(20)11-5-6-11)22-13(10)16(21)19-7-3-2-4-8-19/h11H,2-8H2,1H3,(H,18,20)
InChIKeyYYFOVNBEARVTLY-UHFFFAOYSA-N
XLogP2.90
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide (CID 650633) is N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide is Cc1c(C(=O)N2CCCCC2)sc(NC(=O)C2CC2)c1C#N.
What is the InChIKey of N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide?
The InChIKey is YYFOVNBEARVTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-10-12(9-17)15(18-14(20)11-5-6-11)22-13(10)16(21)19-7-3-2-4-8-19/h11H,2-8H2,1H3,(H,18,20).
What are the key properties of N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide?
N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide has a molecular weight of 317.41 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]cyclopropanecarboxamide is sourced from PubChem (CID 650633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).