N-[1-[4-(hydroxymethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide

C14H26N2O3 — CID 54878882

IUPACN-[1-[4-(hydroxymethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
SMILESCC(NC(=O)C(C)(C)C)C(=O)N1CCC(CO)CC1
InChIInChI=1S/C14H26N2O3/c1-10(15-13(19)14(2,3)4)12(18)16-7-5-11(9-17)6-8-16/h10-11,17H,5-9H2,1-4H3,(H,15,19)
InChIKeyAYPWIJSJBPAYTQ-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.77
Rot. Bonds3

About N-[1-[4-(hydroxymethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide

N-[1-[4-(hydroxymethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide (PubChem CID 54878882) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is N-[1-[4-(hydroxymethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-[4-(hydroxymethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
PubChem CID54878882
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC NameN-[1-[4-(hydroxymethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
SMILESCC(NC(=O)C(C)(C)C)C(=O)N1CCC(CO)CC1
InChIInChI=1S/C14H26N2O3/c1-10(15-13(19)14(2,3)4)12(18)16-7-5-11(9-17)6-8-16/h10-11,17H,5-9H2,1-4H3,(H,15,19)
InChIKeyAYPWIJSJBPAYTQ-UHFFFAOYSA-N
XLogP0.77
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(hydroxymethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-[4-(hydroxymethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide (CID 54878882) is N-[1-[4-(hydroxymethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-[4-(hydroxymethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-[4-(hydroxymethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide is CC(NC(=O)C(C)(C)C)C(=O)N1CCC(CO)CC1.
What is the InChIKey of N-[1-[4-(hydroxymethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The InChIKey is AYPWIJSJBPAYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10(15-13(19)14(2,3)4)12(18)16-7-5-11(9-17)6-8-16/h10-11,17H,5-9H2,1-4H3,(H,15,19).
What are the key properties of N-[1-[4-(hydroxymethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
N-[1-[4-(hydroxymethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide has a molecular weight of 270.37 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(hydroxymethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 54878882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).