N-(2-methylbutan-2-yl)-2-(2-piperidin-3-ylpyrrolidin-1-yl)acetamide

C16H31N3O — CID 66272147

IUPACN-(2-methylbutan-2-yl)-2-(2-piperidin-3-ylpyrrolidin-1-yl)acetamide
SMILESCCC(C)(C)NC(=O)CN1CCCC1C1CCCNC1
InChIInChI=1S/C16H31N3O/c1-4-16(2,3)18-15(20)12-19-10-6-8-14(19)13-7-5-9-17-11-13/h13-14,17H,4-12H2,1-3H3,(H,18,20)
InChIKeyGSIKKZRWEJXPFA-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.76
Rot. Bonds5

About N-(2-methylbutan-2-yl)-2-(2-piperidin-3-ylpyrrolidin-1-yl)acetamide

N-(2-methylbutan-2-yl)-2-(2-piperidin-3-ylpyrrolidin-1-yl)acetamide (PubChem CID 66272147) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2-(2-piperidin-3-ylpyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2-(2-piperidin-3-ylpyrrolidin-1-yl)acetamide
PubChem CID66272147
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC NameN-(2-methylbutan-2-yl)-2-(2-piperidin-3-ylpyrrolidin-1-yl)acetamide
SMILESCCC(C)(C)NC(=O)CN1CCCC1C1CCCNC1
InChIInChI=1S/C16H31N3O/c1-4-16(2,3)18-15(20)12-19-10-6-8-14(19)13-7-5-9-17-11-13/h13-14,17H,4-12H2,1-3H3,(H,18,20)
InChIKeyGSIKKZRWEJXPFA-UHFFFAOYSA-N
XLogP1.76
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-2-(2-piperidin-3-ylpyrrolidin-1-yl)acetamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2-(2-piperidin-3-ylpyrrolidin-1-yl)acetamide (CID 66272147) is N-(2-methylbutan-2-yl)-2-(2-piperidin-3-ylpyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2-(2-piperidin-3-ylpyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2-(2-piperidin-3-ylpyrrolidin-1-yl)acetamide is CCC(C)(C)NC(=O)CN1CCCC1C1CCCNC1.
What is the InChIKey of N-(2-methylbutan-2-yl)-2-(2-piperidin-3-ylpyrrolidin-1-yl)acetamide?
The InChIKey is GSIKKZRWEJXPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-4-16(2,3)18-15(20)12-19-10-6-8-14(19)13-7-5-9-17-11-13/h13-14,17H,4-12H2,1-3H3,(H,18,20).
What are the key properties of N-(2-methylbutan-2-yl)-2-(2-piperidin-3-ylpyrrolidin-1-yl)acetamide?
N-(2-methylbutan-2-yl)-2-(2-piperidin-3-ylpyrrolidin-1-yl)acetamide has a molecular weight of 281.44 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-2-(2-piperidin-3-ylpyrrolidin-1-yl)acetamide is sourced from PubChem (CID 66272147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).