N-(3-cyanothiophen-2-yl)-2-piperidin-1-ylacetamide

C12H15N3OS — CID 723142

IUPACN-(3-cyanothiophen-2-yl)-2-piperidin-1-ylacetamide
SMILESN#Cc1ccsc1NC(=O)CN1CCCCC1
InChIInChI=1S/C12H15N3OS/c13-8-10-4-7-17-12(10)14-11(16)9-15-5-2-1-3-6-15/h4,7H,1-3,5-6,9H2,(H,14,16)
InChIKeyZZRFEQGCKWDTGB-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.04
Rot. Bonds3

About N-(3-cyanothiophen-2-yl)-2-piperidin-1-ylacetamide

N-(3-cyanothiophen-2-yl)-2-piperidin-1-ylacetamide (PubChem CID 723142) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-2-piperidin-1-ylacetamide
PubChem CID723142
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC NameN-(3-cyanothiophen-2-yl)-2-piperidin-1-ylacetamide
SMILESN#Cc1ccsc1NC(=O)CN1CCCCC1
InChIInChI=1S/C12H15N3OS/c13-8-10-4-7-17-12(10)14-11(16)9-15-5-2-1-3-6-15/h4,7H,1-3,5-6,9H2,(H,14,16)
InChIKeyZZRFEQGCKWDTGB-UHFFFAOYSA-N
XLogP2.04
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-2-piperidin-1-ylacetamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-2-piperidin-1-ylacetamide (CID 723142) is N-(3-cyanothiophen-2-yl)-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2-piperidin-1-ylacetamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-2-piperidin-1-ylacetamide is N#Cc1ccsc1NC(=O)CN1CCCCC1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-2-piperidin-1-ylacetamide?
The InChIKey is ZZRFEQGCKWDTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c13-8-10-4-7-17-12(10)14-11(16)9-15-5-2-1-3-6-15/h4,7H,1-3,5-6,9H2,(H,14,16).
What are the key properties of N-(3-cyanothiophen-2-yl)-2-piperidin-1-ylacetamide?
N-(3-cyanothiophen-2-yl)-2-piperidin-1-ylacetamide has a molecular weight of 249.34 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-2-piperidin-1-ylacetamide is sourced from PubChem (CID 723142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).