N-(tert-butylcarbamoyl)-2-(3,3-dimethylpiperidin-1-yl)propanamide

C15H29N3O2 — CID 91642695

IUPACN-(tert-butylcarbamoyl)-2-(3,3-dimethylpiperidin-1-yl)propanamide
SMILESCC(C(=O)NC(=O)NC(C)(C)C)N1CCCC(C)(C)C1
InChIInChI=1S/C15H29N3O2/c1-11(18-9-7-8-15(5,6)10-18)12(19)16-13(20)17-14(2,3)4/h11H,7-10H2,1-6H3,(H2,16,17,19,20)
InChIKeyXYZHEGZVYMZNPG-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.12
Rot. Bonds2

About N-(tert-butylcarbamoyl)-2-(3,3-dimethylpiperidin-1-yl)propanamide

N-(tert-butylcarbamoyl)-2-(3,3-dimethylpiperidin-1-yl)propanamide (PubChem CID 91642695) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-2-(3,3-dimethylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-2-(3,3-dimethylpiperidin-1-yl)propanamide
PubChem CID91642695
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC NameN-(tert-butylcarbamoyl)-2-(3,3-dimethylpiperidin-1-yl)propanamide
SMILESCC(C(=O)NC(=O)NC(C)(C)C)N1CCCC(C)(C)C1
InChIInChI=1S/C15H29N3O2/c1-11(18-9-7-8-15(5,6)10-18)12(19)16-13(20)17-14(2,3)4/h11H,7-10H2,1-6H3,(H2,16,17,19,20)
InChIKeyXYZHEGZVYMZNPG-UHFFFAOYSA-N
XLogP2.12
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamoyl)-2-(3,3-dimethylpiperidin-1-yl)propanamide?
The IUPAC name of N-(tert-butylcarbamoyl)-2-(3,3-dimethylpiperidin-1-yl)propanamide (CID 91642695) is N-(tert-butylcarbamoyl)-2-(3,3-dimethylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(tert-butylcarbamoyl)-2-(3,3-dimethylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(tert-butylcarbamoyl)-2-(3,3-dimethylpiperidin-1-yl)propanamide is CC(C(=O)NC(=O)NC(C)(C)C)N1CCCC(C)(C)C1.
What is the InChIKey of N-(tert-butylcarbamoyl)-2-(3,3-dimethylpiperidin-1-yl)propanamide?
The InChIKey is XYZHEGZVYMZNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-11(18-9-7-8-15(5,6)10-18)12(19)16-13(20)17-14(2,3)4/h11H,7-10H2,1-6H3,(H2,16,17,19,20).
What are the key properties of N-(tert-butylcarbamoyl)-2-(3,3-dimethylpiperidin-1-yl)propanamide?
N-(tert-butylcarbamoyl)-2-(3,3-dimethylpiperidin-1-yl)propanamide has a molecular weight of 283.42 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamoyl)-2-(3,3-dimethylpiperidin-1-yl)propanamide is sourced from PubChem (CID 91642695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).