N-(3-cyanothiophen-2-yl)-3-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]propanamide

C16H24N4O2S — CID 95602435

IUPACN-(3-cyanothiophen-2-yl)-3-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]propanamide
SMILESCOCCN1CCN(CCC(=O)Nc2sccc2C#N)C[C@H]1C
InChIInChI=1S/C16H24N4O2S/c1-13-12-19(6-7-20(13)8-9-22-2)5-3-15(21)18-16-14(11-17)4-10-23-16/h4,10,13H,3,5-9,12H2,1-2H3,(H,18,21)/t13-/m1/s1
InChIKeyABJOQTUTKFTPAM-CYBMUJFWSA-N
MW336.46 g/mol
LogP1.60
Rot. Bonds7

About N-(3-cyanothiophen-2-yl)-3-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]propanamide

N-(3-cyanothiophen-2-yl)-3-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]propanamide (PubChem CID 95602435) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-3-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-3-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]propanamide
PubChem CID95602435
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC NameN-(3-cyanothiophen-2-yl)-3-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]propanamide
SMILESCOCCN1CCN(CCC(=O)Nc2sccc2C#N)C[C@H]1C
InChIInChI=1S/C16H24N4O2S/c1-13-12-19(6-7-20(13)8-9-22-2)5-3-15(21)18-16-14(11-17)4-10-23-16/h4,10,13H,3,5-9,12H2,1-2H3,(H,18,21)/t13-/m1/s1
InChIKeyABJOQTUTKFTPAM-CYBMUJFWSA-N
XLogP1.60
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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3-(4-acetylpiperazin-1-yl)-N-(3-cyanothiophen-2-yl)propanamide
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N-(3-cyanothiophen-2-yl)-3-[(2R)-2-methylpiperazin-1-yl]propanamide
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3-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-[(1R)-1-phenylethyl]propanamide
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N-(3-cyanothiophen-2-yl)-3-(1,4-diazepan-1-yl)propanamide
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N-(3-cyanothiophen-2-yl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-3-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]propanamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-3-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]propanamide (CID 95602435) is N-(3-cyanothiophen-2-yl)-3-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]propanamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-3-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]propanamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-3-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]propanamide is COCCN1CCN(CCC(=O)Nc2sccc2C#N)C[C@H]1C.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-3-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]propanamide?
The InChIKey is ABJOQTUTKFTPAM-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-13-12-19(6-7-20(13)8-9-22-2)5-3-15(21)18-16-14(11-17)4-10-23-16/h4,10,13H,3,5-9,12H2,1-2H3,(H,18,21)/t13-/m1/s1.
What are the key properties of N-(3-cyanothiophen-2-yl)-3-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]propanamide?
N-(3-cyanothiophen-2-yl)-3-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]propanamide has a molecular weight of 336.46 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-3-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]propanamide is sourced from PubChem (CID 95602435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).