N-[[1-(2-hydroxybutyl)piperidin-3-yl]methyl]-2,2-dimethylpropanamide

C15H30N2O2 — CID 56789174

IUPACN-[[1-(2-hydroxybutyl)piperidin-3-yl]methyl]-2,2-dimethylpropanamide
SMILESCCC(O)CN1CCCC(CNC(=O)C(C)(C)C)C1
InChIInChI=1S/C15H30N2O2/c1-5-13(18)11-17-8-6-7-12(10-17)9-16-14(19)15(2,3)4/h12-13,18H,5-11H2,1-4H3,(H,16,19)
InChIKeyGSWRNMNRZJSCPG-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.63
Rot. Bonds5

About N-[[1-(2-hydroxybutyl)piperidin-3-yl]methyl]-2,2-dimethylpropanamide

N-[[1-(2-hydroxybutyl)piperidin-3-yl]methyl]-2,2-dimethylpropanamide (PubChem CID 56789174) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-[[1-(2-hydroxybutyl)piperidin-3-yl]methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[1-(2-hydroxybutyl)piperidin-3-yl]methyl]-2,2-dimethylpropanamide
PubChem CID56789174
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC NameN-[[1-(2-hydroxybutyl)piperidin-3-yl]methyl]-2,2-dimethylpropanamide
SMILESCCC(O)CN1CCCC(CNC(=O)C(C)(C)C)C1
InChIInChI=1S/C15H30N2O2/c1-5-13(18)11-17-8-6-7-12(10-17)9-16-14(19)15(2,3)4/h12-13,18H,5-11H2,1-4H3,(H,16,19)
InChIKeyGSWRNMNRZJSCPG-UHFFFAOYSA-N
XLogP1.63
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-hydroxybutyl)piperidin-3-yl]methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[[1-(2-hydroxybutyl)piperidin-3-yl]methyl]-2,2-dimethylpropanamide (CID 56789174) is N-[[1-(2-hydroxybutyl)piperidin-3-yl]methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[1-(2-hydroxybutyl)piperidin-3-yl]methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[[1-(2-hydroxybutyl)piperidin-3-yl]methyl]-2,2-dimethylpropanamide is CCC(O)CN1CCCC(CNC(=O)C(C)(C)C)C1.
What is the InChIKey of N-[[1-(2-hydroxybutyl)piperidin-3-yl]methyl]-2,2-dimethylpropanamide?
The InChIKey is GSWRNMNRZJSCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-5-13(18)11-17-8-6-7-12(10-17)9-16-14(19)15(2,3)4/h12-13,18H,5-11H2,1-4H3,(H,16,19).
What are the key properties of N-[[1-(2-hydroxybutyl)piperidin-3-yl]methyl]-2,2-dimethylpropanamide?
N-[[1-(2-hydroxybutyl)piperidin-3-yl]methyl]-2,2-dimethylpropanamide has a molecular weight of 270.42 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-hydroxybutyl)piperidin-3-yl]methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 56789174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).