N-(3-cyanothiophen-2-yl)-2-[ethyl(piperidin-2-ylmethyl)amino]acetamide

C15H22N4OS — CID 106632670

IUPACN-(3-cyanothiophen-2-yl)-2-[ethyl(piperidin-2-ylmethyl)amino]acetamide
SMILESCCN(CC(=O)Nc1sccc1C#N)CC1CCCCN1
InChIInChI=1S/C15H22N4OS/c1-2-19(10-13-5-3-4-7-17-13)11-14(20)18-15-12(9-16)6-8-21-15/h6,8,13,17H,2-5,7,10-11H2,1H3,(H,18,20)
InChIKeyPSLKHCPRYLLDER-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.02
Rot. Bonds6

About N-(3-cyanothiophen-2-yl)-2-[ethyl(piperidin-2-ylmethyl)amino]acetamide

N-(3-cyanothiophen-2-yl)-2-[ethyl(piperidin-2-ylmethyl)amino]acetamide (PubChem CID 106632670) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2-[ethyl(piperidin-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-2-[ethyl(piperidin-2-ylmethyl)amino]acetamide
PubChem CID106632670
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC NameN-(3-cyanothiophen-2-yl)-2-[ethyl(piperidin-2-ylmethyl)amino]acetamide
SMILESCCN(CC(=O)Nc1sccc1C#N)CC1CCCCN1
InChIInChI=1S/C15H22N4OS/c1-2-19(10-13-5-3-4-7-17-13)11-14(20)18-15-12(9-16)6-8-21-15/h6,8,13,17H,2-5,7,10-11H2,1H3,(H,18,20)
InChIKeyPSLKHCPRYLLDER-UHFFFAOYSA-N
XLogP2.02
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-2-[ethyl(piperidin-2-ylmethyl)amino]acetamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-2-[ethyl(piperidin-2-ylmethyl)amino]acetamide (CID 106632670) is N-(3-cyanothiophen-2-yl)-2-[ethyl(piperidin-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2-[ethyl(piperidin-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-2-[ethyl(piperidin-2-ylmethyl)amino]acetamide is CCN(CC(=O)Nc1sccc1C#N)CC1CCCCN1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-2-[ethyl(piperidin-2-ylmethyl)amino]acetamide?
The InChIKey is PSLKHCPRYLLDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-2-19(10-13-5-3-4-7-17-13)11-14(20)18-15-12(9-16)6-8-21-15/h6,8,13,17H,2-5,7,10-11H2,1H3,(H,18,20).
What are the key properties of N-(3-cyanothiophen-2-yl)-2-[ethyl(piperidin-2-ylmethyl)amino]acetamide?
N-(3-cyanothiophen-2-yl)-2-[ethyl(piperidin-2-ylmethyl)amino]acetamide has a molecular weight of 306.44 g/mol, XLogP of 2.02, 6 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)-2-[ethyl(piperidin-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 106632670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).