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

C13H18N4OS — CID 82761956

IUPACN-(3-cyanothiophen-2-yl)-3-[(2R)-2-methylpiperazin-1-yl]propanamide
SMILESC[C@@H]1CNCCN1CCC(=O)Nc1sccc1C#N
InChIInChI=1S/C13H18N4OS/c1-10-9-15-4-6-17(10)5-2-12(18)16-13-11(8-14)3-7-19-13/h3,7,10,15H,2,4-6,9H2,1H3,(H,16,18)/t10-/m1/s1
InChIKeyIZSFAXPBSFZAEY-SNVBAGLBSA-N
MW278.38 g/mol
LogP1.24
Rot. Bonds4

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

N-(3-cyanothiophen-2-yl)-3-[(2R)-2-methylpiperazin-1-yl]propanamide (PubChem CID 82761956) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-3-[(2R)-2-methylpiperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-3-[(2R)-2-methylpiperazin-1-yl]propanamide
PubChem CID82761956
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC NameN-(3-cyanothiophen-2-yl)-3-[(2R)-2-methylpiperazin-1-yl]propanamide
SMILESC[C@@H]1CNCCN1CCC(=O)Nc1sccc1C#N
InChIInChI=1S/C13H18N4OS/c1-10-9-15-4-6-17(10)5-2-12(18)16-13-11(8-14)3-7-19-13/h3,7,10,15H,2,4-6,9H2,1H3,(H,16,18)/t10-/m1/s1
InChIKeyIZSFAXPBSFZAEY-SNVBAGLBSA-N
XLogP1.24
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.24
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)-3-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]propanamide
CID 95602435
N-(3-cyanothiophen-2-yl)-2-piperazin-1-ylacetamide
CID 43162397
4-[3-[(3-cyanothiophen-2-yl)amino]-3-oxopropyl]thiomorpholine-3-carboxylic acid
CID 82906580
3-(4-acetylpiperazin-1-yl)-N-(3-cyanothiophen-2-yl)propanamide
CID 8904188
N-(3-cyanothiophen-2-yl)-3-[3-(methylamino)pyrrolidin-1-yl]propanamide
CID 115300684
3-(4-amino-3-methylpiperidin-1-yl)-N-(3-cyanothiophen-2-yl)propanamide
CID 79867752
3-(4-acetyl-1,4-diazepan-1-yl)-N-(3-cyanothiophen-2-yl)propanamide
CID 34927459
N-(5-methyl-1,2-oxazol-3-yl)-3-(2-methylpiperazin-1-yl)propanamide
CID 62672823
3-[azetidin-3-yl(propyl)amino]-N-(3-cyanothiophen-2-yl)propanamide
CID 66215515
N-(2,5-dichlorophenyl)-3-(2-methylpiperazin-1-yl)propanamide;hydrochloride
CID 119916621
3-(4-benzylpiperazin-1-yl)-N-(3-cyanothiophen-2-yl)propanamide
CID 43001145

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-3-[(2R)-2-methylpiperazin-1-yl]propanamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-3-[(2R)-2-methylpiperazin-1-yl]propanamide (CID 82761956) is N-(3-cyanothiophen-2-yl)-3-[(2R)-2-methylpiperazin-1-yl]propanamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-3-[(2R)-2-methylpiperazin-1-yl]propanamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-3-[(2R)-2-methylpiperazin-1-yl]propanamide is C[C@@H]1CNCCN1CCC(=O)Nc1sccc1C#N.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-3-[(2R)-2-methylpiperazin-1-yl]propanamide?
The InChIKey is IZSFAXPBSFZAEY-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-10-9-15-4-6-17(10)5-2-12(18)16-13-11(8-14)3-7-19-13/h3,7,10,15H,2,4-6,9H2,1H3,(H,16,18)/t10-/m1/s1.
What are the key properties of N-(3-cyanothiophen-2-yl)-3-[(2R)-2-methylpiperazin-1-yl]propanamide?
N-(3-cyanothiophen-2-yl)-3-[(2R)-2-methylpiperazin-1-yl]propanamide has a molecular weight of 278.38 g/mol, XLogP of 1.24, 4 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)-3-[(2R)-2-methylpiperazin-1-yl]propanamide is sourced from PubChem (CID 82761956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).