N-(2-methylnonan-2-yl)-3-piperidin-1-ylpropanamide;hydrochloride

C18H37ClN2O — CID 24842761

IUPACN-(2-methylnonan-2-yl)-3-piperidin-1-ylpropanamide;hydrochloride
SMILESCCCCCCCC(C)(C)NC(=O)CCN1CCCCC1.Cl
InChIInChI=1S/C18H36N2O.ClH/c1-4-5-6-7-9-13-18(2,3)19-17(21)12-16-20-14-10-8-11-15-20;/h4-16H2,1-3H3,(H,19,21);1H
InChIKeyQPLSFAKZBBHMNW-UHFFFAOYSA-N
MW332.96 g/mol
LogP4.54
Rot. Bonds10

About N-(2-methylnonan-2-yl)-3-piperidin-1-ylpropanamide;hydrochloride

N-(2-methylnonan-2-yl)-3-piperidin-1-ylpropanamide;hydrochloride (PubChem CID 24842761) has the molecular formula C18H37ClN2O and a molecular weight of 332.96 g/mol. Its IUPAC name is N-(2-methylnonan-2-yl)-3-piperidin-1-ylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylnonan-2-yl)-3-piperidin-1-ylpropanamide;hydrochloride
PubChem CID24842761
Molecular FormulaC18H37ClN2O
Molecular Weight332.96 g/mol
Exact Mass332.26
IUPAC NameN-(2-methylnonan-2-yl)-3-piperidin-1-ylpropanamide;hydrochloride
SMILESCCCCCCCC(C)(C)NC(=O)CCN1CCCCC1.Cl
InChIInChI=1S/C18H36N2O.ClH/c1-4-5-6-7-9-13-18(2,3)19-17(21)12-16-20-14-10-8-11-15-20;/h4-16H2,1-3H3,(H,19,21);1H
InChIKeyQPLSFAKZBBHMNW-UHFFFAOYSA-N
XLogP4.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.96
LogP ≤ 54.54
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-methylnonan-2-yl)-3-piperidin-1-ylpropanamide;hydrochloride?
The IUPAC name of N-(2-methylnonan-2-yl)-3-piperidin-1-ylpropanamide;hydrochloride (CID 24842761) is N-(2-methylnonan-2-yl)-3-piperidin-1-ylpropanamide;hydrochloride.
What is the SMILES notation for N-(2-methylnonan-2-yl)-3-piperidin-1-ylpropanamide;hydrochloride?
The canonical SMILES for N-(2-methylnonan-2-yl)-3-piperidin-1-ylpropanamide;hydrochloride is CCCCCCCC(C)(C)NC(=O)CCN1CCCCC1.Cl.
What is the InChIKey of N-(2-methylnonan-2-yl)-3-piperidin-1-ylpropanamide;hydrochloride?
The InChIKey is QPLSFAKZBBHMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O.ClH/c1-4-5-6-7-9-13-18(2,3)19-17(21)12-16-20-14-10-8-11-15-20;/h4-16H2,1-3H3,(H,19,21);1H.
What are the key properties of N-(2-methylnonan-2-yl)-3-piperidin-1-ylpropanamide;hydrochloride?
N-(2-methylnonan-2-yl)-3-piperidin-1-ylpropanamide;hydrochloride has a molecular weight of 332.96 g/mol, XLogP of 4.54, 10 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)-3-piperidin-1-ylpropanamide;hydrochloride is sourced from PubChem (CID 24842761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).