N-(3-cyanothiophen-2-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide

C19H22N4O2S — CID 17447395

IUPACN-(3-cyanothiophen-2-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
SMILESCOc1ccccc1N1CCN(C(C)C(=O)Nc2sccc2C#N)CC1
InChIInChI=1S/C19H22N4O2S/c1-14(18(24)21-19-15(13-20)7-12-26-19)22-8-10-23(11-9-22)16-5-3-4-6-17(16)25-2/h3-7,12,14H,8-11H2,1-2H3,(H,21,24)
InChIKeyZBWCQZDTRLADMN-UHFFFAOYSA-N
MW370.48 g/mol
LogP2.78
Rot. Bonds5

About N-(3-cyanothiophen-2-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide

N-(3-cyanothiophen-2-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide (PubChem CID 17447395) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
PubChem CID17447395
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC NameN-(3-cyanothiophen-2-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
SMILESCOc1ccccc1N1CCN(C(C)C(=O)Nc2sccc2C#N)CC1
InChIInChI=1S/C19H22N4O2S/c1-14(18(24)21-19-15(13-20)7-12-26-19)22-8-10-23(11-9-22)16-5-3-4-6-17(16)25-2/h3-7,12,14H,8-11H2,1-2H3,(H,21,24)
InChIKeyZBWCQZDTRLADMN-UHFFFAOYSA-N
XLogP2.78
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(3-cyanothiophen-2-yl)propanamide
CID 9445061
(2R)-N-(3-cyanothiophen-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 9462050
(2S)-N-(3-cyanothiophen-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 9462046
(2S)-N-(3-cyanothiophen-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 9431545
(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 40932948
N-(3-cyanothiophen-2-yl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2402942
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylpropanamide
CID 17392933
(2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide
CID 9249291
N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 17445171
methyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate
CID 47016293
(2S)-N-(2-acetylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 9249385
N-(3-cyanothiophen-2-yl)-2,6-dimethoxybenzamide
CID 7192360

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide (CID 17447395) is N-(3-cyanothiophen-2-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide is COc1ccccc1N1CCN(C(C)C(=O)Nc2sccc2C#N)CC1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
The InChIKey is ZBWCQZDTRLADMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-14(18(24)21-19-15(13-20)7-12-26-19)22-8-10-23(11-9-22)16-5-3-4-6-17(16)25-2/h3-7,12,14H,8-11H2,1-2H3,(H,21,24).
What are the key properties of N-(3-cyanothiophen-2-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
N-(3-cyanothiophen-2-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide has a molecular weight of 370.48 g/mol, XLogP of 2.78, 5 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)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 17447395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).