N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3-oxopiperazin-1-yl)propanamide

C15H18N4O2S — CID 71899234

IUPACN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3-oxopiperazin-1-yl)propanamide
SMILESCC(C(=O)Nc1sc2c(c1C#N)CCC2)N1CCNC(=O)C1
InChIInChI=1S/C15H18N4O2S/c1-9(19-6-5-17-13(20)8-19)14(21)18-15-11(7-16)10-3-2-4-12(10)22-15/h9H,2-6,8H2,1H3,(H,17,20)(H,18,21)
InChIKeyZZCFWLIGOCGZNX-UHFFFAOYSA-N
MW318.40 g/mol
LogP0.87
Rot. Bonds3

About N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3-oxopiperazin-1-yl)propanamide

N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3-oxopiperazin-1-yl)propanamide (PubChem CID 71899234) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3-oxopiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3-oxopiperazin-1-yl)propanamide
PubChem CID71899234
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC NameN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3-oxopiperazin-1-yl)propanamide
SMILESCC(C(=O)Nc1sc2c(c1C#N)CCC2)N1CCNC(=O)C1
InChIInChI=1S/C15H18N4O2S/c1-9(19-6-5-17-13(20)8-19)14(21)18-15-11(7-16)10-3-2-4-12(10)22-15/h9H,2-6,8H2,1H3,(H,17,20)(H,18,21)
InChIKeyZZCFWLIGOCGZNX-UHFFFAOYSA-N
XLogP0.87
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(3-methylpiperidin-1-yl)propanamide
CID 24506599
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-methoxypropanamide
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(2R)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[(2S)-2-methylmorpholin-4-yl]propanamide
CID 100841326
2-amino-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide
CID 110460122
(2S)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 26300843
(2S)-2-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)propanamide
CID 25372763
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
CID 55430351
(2S)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)propanamide
CID 41208171
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-(ethylamino)-2-methylpropanamide
CID 62839281
2-(aminomethyl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-methylbutanamide
CID 65229189
(2S)-2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)propanamide
CID 40968226
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide
CID 19538115

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3-oxopiperazin-1-yl)propanamide?
The IUPAC name of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3-oxopiperazin-1-yl)propanamide (CID 71899234) is N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3-oxopiperazin-1-yl)propanamide.
What is the SMILES notation for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3-oxopiperazin-1-yl)propanamide?
The canonical SMILES for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3-oxopiperazin-1-yl)propanamide is CC(C(=O)Nc1sc2c(c1C#N)CCC2)N1CCNC(=O)C1.
What is the InChIKey of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3-oxopiperazin-1-yl)propanamide?
The InChIKey is ZZCFWLIGOCGZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-9(19-6-5-17-13(20)8-19)14(21)18-15-11(7-16)10-3-2-4-12(10)22-15/h9H,2-6,8H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3-oxopiperazin-1-yl)propanamide?
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3-oxopiperazin-1-yl)propanamide has a molecular weight of 318.40 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3-oxopiperazin-1-yl)propanamide is sourced from PubChem (CID 71899234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).