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

C17H35ClN2O — CID 3066142

IUPACN-(2-methylnonan-2-yl)-2-piperidin-1-ylacetamide;hydrochloride
SMILESCCCCCCCC(C)(C)NC(=O)CN1CCCCC1.Cl
InChIInChI=1S/C17H34N2O.ClH/c1-4-5-6-7-9-12-17(2,3)18-16(20)15-19-13-10-8-11-14-19;/h4-15H2,1-3H3,(H,18,20);1H
InChIKeyLVUWPCSALQWIAA-UHFFFAOYSA-N
MW318.93 g/mol
LogP4.15
Rot. Bonds9

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

N-(2-methylnonan-2-yl)-2-piperidin-1-ylacetamide;hydrochloride (PubChem CID 3066142) has the molecular formula C17H35ClN2O and a molecular weight of 318.93 g/mol. Its IUPAC name is N-(2-methylnonan-2-yl)-2-piperidin-1-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylnonan-2-yl)-2-piperidin-1-ylacetamide;hydrochloride
PubChem CID3066142
Molecular FormulaC17H35ClN2O
Molecular Weight318.93 g/mol
Exact Mass318.24
IUPAC NameN-(2-methylnonan-2-yl)-2-piperidin-1-ylacetamide;hydrochloride
SMILESCCCCCCCC(C)(C)NC(=O)CN1CCCCC1.Cl
InChIInChI=1S/C17H34N2O.ClH/c1-4-5-6-7-9-12-17(2,3)18-16(20)15-19-13-10-8-11-14-19;/h4-15H2,1-3H3,(H,18,20);1H
InChIKeyLVUWPCSALQWIAA-UHFFFAOYSA-N
XLogP4.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.93
LogP ≤ 54.15
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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Related Compounds

2-(1,4-diazaspiro[5.5]undecan-4-yl)-N-methyl-N-pentylacetamide
CID 49853579
1-Piperidineacetamide, N-(1,1-dimethylpentyl)-, hydrochloride
CID 3065937
Acetamide, 2-(diethylamino)-N-(1,1-dimethyloctyl)-, hydrochloride
CID 60331
1-Piperidineacetamide, N-(1,1,3-trimethylbutyl)-, hydrochloride
CID 3065919
1-Piperidineacetamide, N-(1-methylcyclohexyl)-, hydrochloride
CID 3066028
1-Piperidineacetamide, N-(1,1-dimethylnonyl)-, hydrochloride
CID 3066151
4-Morpholineacetamide, N-(1,1-dimethyldecyl)-, hydrochloride
CID 3066153
1-Piperidineacetamide, N-(1,1,4-trimethylpentyl)-, hydrochloride
CID 3066159
1-Piperidineacetamide, N-(1-ethyl-1-methylpentyl)-, hydrochloride
CID 3066161
1-Piperidineacetamide, N-(1,1-dimethylhexyl)-, hydrochloride
CID 3066163
1-Piperidineacetamide, N-(1,1-dimethyldecyl)-, hydrochloride
CID 3066165
2-(Piperidin-1-yl)-N-(1,3,3,5-tetramethylcyclohexyl)ethanimidic acid--hydrogen chloride (1/1)
CID 3066177

Frequently Asked Questions

What is the IUPAC name of N-(2-methylnonan-2-yl)-2-piperidin-1-ylacetamide;hydrochloride?
The IUPAC name of N-(2-methylnonan-2-yl)-2-piperidin-1-ylacetamide;hydrochloride (CID 3066142) is N-(2-methylnonan-2-yl)-2-piperidin-1-ylacetamide;hydrochloride.
What is the SMILES notation for N-(2-methylnonan-2-yl)-2-piperidin-1-ylacetamide;hydrochloride?
The canonical SMILES for N-(2-methylnonan-2-yl)-2-piperidin-1-ylacetamide;hydrochloride is CCCCCCCC(C)(C)NC(=O)CN1CCCCC1.Cl.
What is the InChIKey of N-(2-methylnonan-2-yl)-2-piperidin-1-ylacetamide;hydrochloride?
The InChIKey is LVUWPCSALQWIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O.ClH/c1-4-5-6-7-9-12-17(2,3)18-16(20)15-19-13-10-8-11-14-19;/h4-15H2,1-3H3,(H,18,20);1H.
What are the key properties of N-(2-methylnonan-2-yl)-2-piperidin-1-ylacetamide;hydrochloride?
N-(2-methylnonan-2-yl)-2-piperidin-1-ylacetamide;hydrochloride has a molecular weight of 318.93 g/mol, XLogP of 4.15, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylnonan-2-yl)-2-piperidin-1-ylacetamide;hydrochloride is sourced from PubChem (CID 3066142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).