N-(2-hydroxyethyl)-3-[(2R)-1-methylpiperidin-2-yl]-N-pentylpropanamide

C16H32N2O2 — CID 100729910

IUPACN-(2-hydroxyethyl)-3-[(2R)-1-methylpiperidin-2-yl]-N-pentylpropanamide
SMILESCCCCCN(CCO)C(=O)CC[C@H]1CCCCN1C
InChIInChI=1S/C16H32N2O2/c1-3-4-6-12-18(13-14-19)16(20)10-9-15-8-5-7-11-17(15)2/h15,19H,3-14H2,1-2H3/t15-/m1/s1
InChIKeyHJKWMEXNUDZAOB-OAHLLOKOSA-N
MW284.44 g/mol
LogP2.26
Rot. Bonds9

About N-(2-hydroxyethyl)-3-[(2R)-1-methylpiperidin-2-yl]-N-pentylpropanamide

N-(2-hydroxyethyl)-3-[(2R)-1-methylpiperidin-2-yl]-N-pentylpropanamide (PubChem CID 100729910) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-[(2R)-1-methylpiperidin-2-yl]-N-pentylpropanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-[(2R)-1-methylpiperidin-2-yl]-N-pentylpropanamide
PubChem CID100729910
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC NameN-(2-hydroxyethyl)-3-[(2R)-1-methylpiperidin-2-yl]-N-pentylpropanamide
SMILESCCCCCN(CCO)C(=O)CC[C@H]1CCCCN1C
InChIInChI=1S/C16H32N2O2/c1-3-4-6-12-18(13-14-19)16(20)10-9-15-8-5-7-11-17(15)2/h15,19H,3-14H2,1-2H3/t15-/m1/s1
InChIKeyHJKWMEXNUDZAOB-OAHLLOKOSA-N
XLogP2.26
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-hydroxyethyl)-3-[(2R)-1-methylpiperidin-2-yl]-N-pentylpropanamide?
The IUPAC name of N-(2-hydroxyethyl)-3-[(2R)-1-methylpiperidin-2-yl]-N-pentylpropanamide (CID 100729910) is N-(2-hydroxyethyl)-3-[(2R)-1-methylpiperidin-2-yl]-N-pentylpropanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-[(2R)-1-methylpiperidin-2-yl]-N-pentylpropanamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-[(2R)-1-methylpiperidin-2-yl]-N-pentylpropanamide is CCCCCN(CCO)C(=O)CC[C@H]1CCCCN1C.
What is the InChIKey of N-(2-hydroxyethyl)-3-[(2R)-1-methylpiperidin-2-yl]-N-pentylpropanamide?
The InChIKey is HJKWMEXNUDZAOB-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-3-4-6-12-18(13-14-19)16(20)10-9-15-8-5-7-11-17(15)2/h15,19H,3-14H2,1-2H3/t15-/m1/s1.
What are the key properties of N-(2-hydroxyethyl)-3-[(2R)-1-methylpiperidin-2-yl]-N-pentylpropanamide?
N-(2-hydroxyethyl)-3-[(2R)-1-methylpiperidin-2-yl]-N-pentylpropanamide has a molecular weight of 284.44 g/mol, XLogP of 2.26, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-[(2R)-1-methylpiperidin-2-yl]-N-pentylpropanamide is sourced from PubChem (CID 100729910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).