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

C11H14N4OS — CID 43162397

IUPACN-(3-cyanothiophen-2-yl)-2-piperazin-1-ylacetamide
SMILESN#Cc1ccsc1NC(=O)CN1CCNCC1
InChIInChI=1S/C11H14N4OS/c12-7-9-1-6-17-11(9)14-10(16)8-15-4-2-13-3-5-15/h1,6,13H,2-5,8H2,(H,14,16)
InChIKeyODPFZSNYOLCTQS-UHFFFAOYSA-N
MW250.33 g/mol
LogP0.46
Rot. Bonds3

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

N-(3-cyanothiophen-2-yl)-2-piperazin-1-ylacetamide (PubChem CID 43162397) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-2-piperazin-1-ylacetamide
PubChem CID43162397
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC NameN-(3-cyanothiophen-2-yl)-2-piperazin-1-ylacetamide
SMILESN#Cc1ccsc1NC(=O)CN1CCNCC1
InChIInChI=1S/C11H14N4OS/c12-7-9-1-6-17-11(9)14-10(16)8-15-4-2-13-3-5-15/h1,6,13H,2-5,8H2,(H,14,16)
InChIKeyODPFZSNYOLCTQS-UHFFFAOYSA-N
XLogP0.46
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyanothiophen-2-yl)-3-(1,4-diazepan-1-yl)propanamide
CID 43340948
N-(3-cyanothiophen-2-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 22194992
methyl 1-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 8742622
N-(3-cyanothiophen-2-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 103898672
N-(3-cyanothiophen-2-yl)-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]acetamide
CID 86976852
1-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63032930
N-(3-cyanothiophen-2-yl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 2241121
N-(3-cyanothiophen-2-yl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide
CID 2473904
N-(3-cyanothiophen-2-yl)-2-[(2S)-2-methylmorpholin-4-yl]acetamide
CID 33112194
N-(3-cyanothiophen-2-yl)-3-[(2R)-2-methylpiperazin-1-yl]propanamide
CID 82761956
N-(3-cyanothiophen-2-yl)-3-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 18283787
1-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63148712

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-2-piperazin-1-ylacetamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-2-piperazin-1-ylacetamide (CID 43162397) is N-(3-cyanothiophen-2-yl)-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2-piperazin-1-ylacetamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-2-piperazin-1-ylacetamide is N#Cc1ccsc1NC(=O)CN1CCNCC1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-2-piperazin-1-ylacetamide?
The InChIKey is ODPFZSNYOLCTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c12-7-9-1-6-17-11(9)14-10(16)8-15-4-2-13-3-5-15/h1,6,13H,2-5,8H2,(H,14,16).
What are the key properties of N-(3-cyanothiophen-2-yl)-2-piperazin-1-ylacetamide?
N-(3-cyanothiophen-2-yl)-2-piperazin-1-ylacetamide has a molecular weight of 250.33 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-2-piperazin-1-ylacetamide is sourced from PubChem (CID 43162397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).