3-(4-amino-3-methylpiperidin-1-yl)-N-(3-cyanothiophen-2-yl)propanamide

C14H20N4OS — CID 79867752

IUPAC3-(4-amino-3-methylpiperidin-1-yl)-N-(3-cyanothiophen-2-yl)propanamide
SMILESCC1CN(CCC(=O)Nc2sccc2C#N)CCC1N
InChIInChI=1S/C14H20N4OS/c1-10-9-18(5-2-12(10)16)6-3-13(19)17-14-11(8-15)4-7-20-14/h4,7,10,12H,2-3,5-6,9,16H2,1H3,(H,17,19)
InChIKeyWJYRMDUVXZLUGI-UHFFFAOYSA-N
MW292.41 g/mol
LogP1.62
Rot. Bonds4

About 3-(4-amino-3-methylpiperidin-1-yl)-N-(3-cyanothiophen-2-yl)propanamide

3-(4-amino-3-methylpiperidin-1-yl)-N-(3-cyanothiophen-2-yl)propanamide (PubChem CID 79867752) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 3-(4-amino-3-methylpiperidin-1-yl)-N-(3-cyanothiophen-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-amino-3-methylpiperidin-1-yl)-N-(3-cyanothiophen-2-yl)propanamide
PubChem CID79867752
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name3-(4-amino-3-methylpiperidin-1-yl)-N-(3-cyanothiophen-2-yl)propanamide
SMILESCC1CN(CCC(=O)Nc2sccc2C#N)CCC1N
InChIInChI=1S/C14H20N4OS/c1-10-9-18(5-2-12(10)16)6-3-13(19)17-14-11(8-15)4-7-20-14/h4,7,10,12H,2-3,5-6,9,16H2,1H3,(H,17,19)
InChIKeyWJYRMDUVXZLUGI-UHFFFAOYSA-N
XLogP1.62
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyanothiophen-2-yl)-3-[3-(methylamino)pyrrolidin-1-yl]propanamide
CID 115300684
3-(4-amino-3-methylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide
CID 79874391
N-(3-cyanothiophen-2-yl)-3-[3-(methylaminomethyl)piperidin-1-yl]propanamide
CID 61205508
N-(3-cyanothiophen-2-yl)-3-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]propanamide
CID 95602435
3-(4-acetylpiperazin-1-yl)-N-(3-cyanothiophen-2-yl)propanamide
CID 8904188
N-(3-cyanothiophen-2-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 103898672
N-(3-cyanothiophen-2-yl)-3-[(2R)-2-methylpiperazin-1-yl]propanamide
CID 82761956
3-(4-acetyl-1,4-diazepan-1-yl)-N-(3-cyanothiophen-2-yl)propanamide
CID 34927459
1-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63032930
3-(4-benzylpiperazin-1-yl)-N-(3-cyanothiophen-2-yl)propanamide
CID 43001145
N-(3-cyanothiophen-2-yl)-3-(1,4-diazepan-1-yl)propanamide
CID 43340948
N-(3-cyanothiophen-2-yl)-3-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]propanamide
CID 18279657

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3-methylpiperidin-1-yl)-N-(3-cyanothiophen-2-yl)propanamide?
The IUPAC name of 3-(4-amino-3-methylpiperidin-1-yl)-N-(3-cyanothiophen-2-yl)propanamide (CID 79867752) is 3-(4-amino-3-methylpiperidin-1-yl)-N-(3-cyanothiophen-2-yl)propanamide.
What is the SMILES notation for 3-(4-amino-3-methylpiperidin-1-yl)-N-(3-cyanothiophen-2-yl)propanamide?
The canonical SMILES for 3-(4-amino-3-methylpiperidin-1-yl)-N-(3-cyanothiophen-2-yl)propanamide is CC1CN(CCC(=O)Nc2sccc2C#N)CCC1N.
What is the InChIKey of 3-(4-amino-3-methylpiperidin-1-yl)-N-(3-cyanothiophen-2-yl)propanamide?
The InChIKey is WJYRMDUVXZLUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-10-9-18(5-2-12(10)16)6-3-13(19)17-14-11(8-15)4-7-20-14/h4,7,10,12H,2-3,5-6,9,16H2,1H3,(H,17,19).
What are the key properties of 3-(4-amino-3-methylpiperidin-1-yl)-N-(3-cyanothiophen-2-yl)propanamide?
3-(4-amino-3-methylpiperidin-1-yl)-N-(3-cyanothiophen-2-yl)propanamide has a molecular weight of 292.41 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3-methylpiperidin-1-yl)-N-(3-cyanothiophen-2-yl)propanamide is sourced from PubChem (CID 79867752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).