2-piperidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)acetamide;hydrochloride

C15H31ClN2O — CID 24842493

IUPAC2-piperidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)acetamide;hydrochloride
SMILESCC(C)(C)CC(C)(C)NC(=O)CN1CCCCC1.Cl
InChIInChI=1S/C15H30N2O.ClH/c1-14(2,3)12-15(4,5)16-13(18)11-17-9-7-6-8-10-17;/h6-12H2,1-5H3,(H,16,18);1H
InChIKeyHSQVMPOXXITWRP-UHFFFAOYSA-N
MW290.88 g/mol
LogP3.23
Rot. Bonds4

About 2-piperidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)acetamide;hydrochloride

2-piperidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)acetamide;hydrochloride (PubChem CID 24842493) has the molecular formula C15H31ClN2O and a molecular weight of 290.88 g/mol. Its IUPAC name is 2-piperidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-piperidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)acetamide;hydrochloride
PubChem CID24842493
Molecular FormulaC15H31ClN2O
Molecular Weight290.88 g/mol
Exact Mass290.21
IUPAC Name2-piperidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)acetamide;hydrochloride
SMILESCC(C)(C)CC(C)(C)NC(=O)CN1CCCCC1.Cl
InChIInChI=1S/C15H30N2O.ClH/c1-14(2,3)12-15(4,5)16-13(18)11-17-9-7-6-8-10-17;/h6-12H2,1-5H3,(H,16,18);1H
InChIKeyHSQVMPOXXITWRP-UHFFFAOYSA-N
XLogP3.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.88
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)acetamide;hydrochloride?
The IUPAC name of 2-piperidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)acetamide;hydrochloride (CID 24842493) is 2-piperidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-piperidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)acetamide;hydrochloride?
The canonical SMILES for 2-piperidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)acetamide;hydrochloride is CC(C)(C)CC(C)(C)NC(=O)CN1CCCCC1.Cl.
What is the InChIKey of 2-piperidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)acetamide;hydrochloride?
The InChIKey is HSQVMPOXXITWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O.ClH/c1-14(2,3)12-15(4,5)16-13(18)11-17-9-7-6-8-10-17;/h6-12H2,1-5H3,(H,16,18);1H.
What are the key properties of 2-piperidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)acetamide;hydrochloride?
2-piperidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)acetamide;hydrochloride has a molecular weight of 290.88 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 24842493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).