3-piperidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)propanamide

C16H32N2O — CID 3065264

IUPAC3-piperidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)propanamide
SMILESCC(C)(C)CC(C)(C)NC(=O)CCN1CCCCC1
InChIInChI=1S/C16H32N2O/c1-15(2,3)13-16(4,5)17-14(19)9-12-18-10-7-6-8-11-18/h6-13H2,1-5H3,(H,17,19)
InChIKeyZLOJCRXWOPWQOA-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.19
Rot. Bonds5

About 3-piperidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)propanamide

3-piperidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)propanamide (PubChem CID 3065264) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 3-piperidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)propanamide.

Molecular Properties

Compound Name3-piperidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)propanamide
PubChem CID3065264
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name3-piperidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)propanamide
SMILESCC(C)(C)CC(C)(C)NC(=O)CCN1CCCCC1
InChIInChI=1S/C16H32N2O/c1-15(2,3)13-16(4,5)17-14(19)9-12-18-10-7-6-8-11-18/h6-13H2,1-5H3,(H,17,19)
InChIKeyZLOJCRXWOPWQOA-UHFFFAOYSA-N
XLogP3.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)propanamide?
The IUPAC name of 3-piperidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)propanamide (CID 3065264) is 3-piperidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)propanamide.
What is the SMILES notation for 3-piperidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)propanamide?
The canonical SMILES for 3-piperidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)propanamide is CC(C)(C)CC(C)(C)NC(=O)CCN1CCCCC1.
What is the InChIKey of 3-piperidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)propanamide?
The InChIKey is ZLOJCRXWOPWQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-15(2,3)13-16(4,5)17-14(19)9-12-18-10-7-6-8-11-18/h6-13H2,1-5H3,(H,17,19).
What are the key properties of 3-piperidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)propanamide?
3-piperidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)propanamide has a molecular weight of 268.44 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)propanamide is sourced from PubChem (CID 3065264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).