N-(2-methylheptan-2-yl)-2-piperidin-1-ylacetamide;hydrochloride

C15H31ClN2O — CID 3066163

IUPACN-(2-methylheptan-2-yl)-2-piperidin-1-ylacetamide;hydrochloride
SMILESCCCCCC(C)(C)NC(=O)CN1CCCCC1.Cl
InChIInChI=1S/C15H30N2O.ClH/c1-4-5-7-10-15(2,3)16-14(18)13-17-11-8-6-9-12-17;/h4-13H2,1-3H3,(H,16,18);1H
InChIKeyBWXVJNVARSUKSU-UHFFFAOYSA-N
MW290.88 g/mol
LogP3.37
Rot. Bonds7

About N-(2-methylheptan-2-yl)-2-piperidin-1-ylacetamide;hydrochloride

N-(2-methylheptan-2-yl)-2-piperidin-1-ylacetamide;hydrochloride (PubChem CID 3066163) has the molecular formula C15H31ClN2O and a molecular weight of 290.88 g/mol. Its IUPAC name is N-(2-methylheptan-2-yl)-2-piperidin-1-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylheptan-2-yl)-2-piperidin-1-ylacetamide;hydrochloride
PubChem CID3066163
Molecular FormulaC15H31ClN2O
Molecular Weight290.88 g/mol
Exact Mass290.21
IUPAC NameN-(2-methylheptan-2-yl)-2-piperidin-1-ylacetamide;hydrochloride
SMILESCCCCCC(C)(C)NC(=O)CN1CCCCC1.Cl
InChIInChI=1S/C15H30N2O.ClH/c1-4-5-7-10-15(2,3)16-14(18)13-17-11-8-6-9-12-17;/h4-13H2,1-3H3,(H,16,18);1H
InChIKeyBWXVJNVARSUKSU-UHFFFAOYSA-N
XLogP3.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.88
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylheptan-2-yl)-2-piperidin-1-ylacetamide;hydrochloride?
The IUPAC name of N-(2-methylheptan-2-yl)-2-piperidin-1-ylacetamide;hydrochloride (CID 3066163) is N-(2-methylheptan-2-yl)-2-piperidin-1-ylacetamide;hydrochloride.
What is the SMILES notation for N-(2-methylheptan-2-yl)-2-piperidin-1-ylacetamide;hydrochloride?
The canonical SMILES for N-(2-methylheptan-2-yl)-2-piperidin-1-ylacetamide;hydrochloride is CCCCCC(C)(C)NC(=O)CN1CCCCC1.Cl.
What is the InChIKey of N-(2-methylheptan-2-yl)-2-piperidin-1-ylacetamide;hydrochloride?
The InChIKey is BWXVJNVARSUKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O.ClH/c1-4-5-7-10-15(2,3)16-14(18)13-17-11-8-6-9-12-17;/h4-13H2,1-3H3,(H,16,18);1H.
What are the key properties of N-(2-methylheptan-2-yl)-2-piperidin-1-ylacetamide;hydrochloride?
N-(2-methylheptan-2-yl)-2-piperidin-1-ylacetamide;hydrochloride has a molecular weight of 290.88 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylheptan-2-yl)-2-piperidin-1-ylacetamide;hydrochloride is sourced from PubChem (CID 3066163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).