N-(2-methylbutan-2-yl)-3-piperidin-1-ylpropanamide

C13H26N2O — CID 24842769

IUPACN-(2-methylbutan-2-yl)-3-piperidin-1-ylpropanamide
SMILESCCC(C)(C)NC(=O)CCN1CCCCC1
InChIInChI=1S/C13H26N2O/c1-4-13(2,3)14-12(16)8-11-15-9-6-5-7-10-15/h4-11H2,1-3H3,(H,14,16)
InChIKeySITFWPDVVPQZMZ-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.17
Rot. Bonds5

About N-(2-methylbutan-2-yl)-3-piperidin-1-ylpropanamide

N-(2-methylbutan-2-yl)-3-piperidin-1-ylpropanamide (PubChem CID 24842769) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-3-piperidin-1-ylpropanamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-3-piperidin-1-ylpropanamide
PubChem CID24842769
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(2-methylbutan-2-yl)-3-piperidin-1-ylpropanamide
SMILESCCC(C)(C)NC(=O)CCN1CCCCC1
InChIInChI=1S/C13H26N2O/c1-4-13(2,3)14-12(16)8-11-15-9-6-5-7-10-15/h4-11H2,1-3H3,(H,14,16)
InChIKeySITFWPDVVPQZMZ-UHFFFAOYSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-3-piperidin-1-ylpropanamide?
The IUPAC name of N-(2-methylbutan-2-yl)-3-piperidin-1-ylpropanamide (CID 24842769) is N-(2-methylbutan-2-yl)-3-piperidin-1-ylpropanamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-3-piperidin-1-ylpropanamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-3-piperidin-1-ylpropanamide is CCC(C)(C)NC(=O)CCN1CCCCC1.
What is the InChIKey of N-(2-methylbutan-2-yl)-3-piperidin-1-ylpropanamide?
The InChIKey is SITFWPDVVPQZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-13(2,3)14-12(16)8-11-15-9-6-5-7-10-15/h4-11H2,1-3H3,(H,14,16).
What are the key properties of N-(2-methylbutan-2-yl)-3-piperidin-1-ylpropanamide?
N-(2-methylbutan-2-yl)-3-piperidin-1-ylpropanamide has a molecular weight of 226.36 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 24842769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).