N-(2-hydroxyethyl)-N-pentan-3-yl-3-piperidin-4-yloxypropanamide

C15H30N2O3 — CID 63904113

IUPACN-(2-hydroxyethyl)-N-pentan-3-yl-3-piperidin-4-yloxypropanamide
SMILESCCC(CC)N(CCO)C(=O)CCOC1CCNCC1
InChIInChI=1S/C15H30N2O3/c1-3-13(4-2)17(10-11-18)15(19)7-12-20-14-5-8-16-9-6-14/h13-14,16,18H,3-12H2,1-2H3
InChIKeyBCAYGWMDLALSNG-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.15
Rot. Bonds9

About N-(2-hydroxyethyl)-N-pentan-3-yl-3-piperidin-4-yloxypropanamide

N-(2-hydroxyethyl)-N-pentan-3-yl-3-piperidin-4-yloxypropanamide (PubChem CID 63904113) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-pentan-3-yl-3-piperidin-4-yloxypropanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-pentan-3-yl-3-piperidin-4-yloxypropanamide
PubChem CID63904113
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC NameN-(2-hydroxyethyl)-N-pentan-3-yl-3-piperidin-4-yloxypropanamide
SMILESCCC(CC)N(CCO)C(=O)CCOC1CCNCC1
InChIInChI=1S/C15H30N2O3/c1-3-13(4-2)17(10-11-18)15(19)7-12-20-14-5-8-16-9-6-14/h13-14,16,18H,3-12H2,1-2H3
InChIKeyBCAYGWMDLALSNG-UHFFFAOYSA-N
XLogP1.15
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-pentan-3-yl-3-piperidin-4-yloxypropanamide?
The IUPAC name of N-(2-hydroxyethyl)-N-pentan-3-yl-3-piperidin-4-yloxypropanamide (CID 63904113) is N-(2-hydroxyethyl)-N-pentan-3-yl-3-piperidin-4-yloxypropanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-pentan-3-yl-3-piperidin-4-yloxypropanamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-pentan-3-yl-3-piperidin-4-yloxypropanamide is CCC(CC)N(CCO)C(=O)CCOC1CCNCC1.
What is the InChIKey of N-(2-hydroxyethyl)-N-pentan-3-yl-3-piperidin-4-yloxypropanamide?
The InChIKey is BCAYGWMDLALSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-3-13(4-2)17(10-11-18)15(19)7-12-20-14-5-8-16-9-6-14/h13-14,16,18H,3-12H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-N-pentan-3-yl-3-piperidin-4-yloxypropanamide?
N-(2-hydroxyethyl)-N-pentan-3-yl-3-piperidin-4-yloxypropanamide has a molecular weight of 286.42 g/mol, XLogP of 1.15, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-pentan-3-yl-3-piperidin-4-yloxypropanamide is sourced from PubChem (CID 63904113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).