N-[1-acetyl-5-(1-hydroxyethyl)piperidin-3-yl]-2,2-dimethylpropanamide

C14H26N2O3 — CID 112542253

IUPACN-[1-acetyl-5-(1-hydroxyethyl)piperidin-3-yl]-2,2-dimethylpropanamide
SMILESCC(=O)N1CC(NC(=O)C(C)(C)C)CC(C(C)O)C1
InChIInChI=1S/C14H26N2O3/c1-9(17)11-6-12(8-16(7-11)10(2)18)15-13(19)14(3,4)5/h9,11-12,17H,6-8H2,1-5H3,(H,15,19)
InChIKeyHIPAKODVXQSOPF-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.77
Rot. Bonds2

About N-[1-acetyl-5-(1-hydroxyethyl)piperidin-3-yl]-2,2-dimethylpropanamide

N-[1-acetyl-5-(1-hydroxyethyl)piperidin-3-yl]-2,2-dimethylpropanamide (PubChem CID 112542253) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is N-[1-acetyl-5-(1-hydroxyethyl)piperidin-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-acetyl-5-(1-hydroxyethyl)piperidin-3-yl]-2,2-dimethylpropanamide
PubChem CID112542253
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC NameN-[1-acetyl-5-(1-hydroxyethyl)piperidin-3-yl]-2,2-dimethylpropanamide
SMILESCC(=O)N1CC(NC(=O)C(C)(C)C)CC(C(C)O)C1
InChIInChI=1S/C14H26N2O3/c1-9(17)11-6-12(8-16(7-11)10(2)18)15-13(19)14(3,4)5/h9,11-12,17H,6-8H2,1-5H3,(H,15,19)
InChIKeyHIPAKODVXQSOPF-UHFFFAOYSA-N
XLogP0.77
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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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Related Compounds

N-[5-(1-hydroxyethyl)-1-(2-methylpropanoyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 112542313
N-[5-(1-hydroxyethyl)-1-methylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 112542096
1-[3-(1-hydroxyethyl)-5-(methylamino)piperidin-1-yl]ethanone
CID 83989743
1-[3-(2,2-dimethylpropylamino)-5-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 83995067
N-[5-(1-hydroxyethyl)-1-(2-methylpropyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 112542165
N-[1-cyclobutyl-5-(1-hydroxyethyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 112542393
1-[3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 83992992
1-[3-(cyclopropylamino)-5-(1-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 83991690
N-[5-(1-hydroxyethyl)-1-propanoylpiperidin-3-yl]-2-methylpropanamide
CID 112542715
1-[3-(1-hydroxyethyl)-5-(methylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 83989811
ethyl 3-(ethoxycarbonylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate
CID 112543799
N-[1-(2-acetamidoethyl)-5-propan-2-ylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 112542523

Frequently Asked Questions

What is the IUPAC name of N-[1-acetyl-5-(1-hydroxyethyl)piperidin-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-acetyl-5-(1-hydroxyethyl)piperidin-3-yl]-2,2-dimethylpropanamide (CID 112542253) is N-[1-acetyl-5-(1-hydroxyethyl)piperidin-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-acetyl-5-(1-hydroxyethyl)piperidin-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-acetyl-5-(1-hydroxyethyl)piperidin-3-yl]-2,2-dimethylpropanamide is CC(=O)N1CC(NC(=O)C(C)(C)C)CC(C(C)O)C1.
What is the InChIKey of N-[1-acetyl-5-(1-hydroxyethyl)piperidin-3-yl]-2,2-dimethylpropanamide?
The InChIKey is HIPAKODVXQSOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-9(17)11-6-12(8-16(7-11)10(2)18)15-13(19)14(3,4)5/h9,11-12,17H,6-8H2,1-5H3,(H,15,19).
What are the key properties of N-[1-acetyl-5-(1-hydroxyethyl)piperidin-3-yl]-2,2-dimethylpropanamide?
N-[1-acetyl-5-(1-hydroxyethyl)piperidin-3-yl]-2,2-dimethylpropanamide has a molecular weight of 270.37 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-acetyl-5-(1-hydroxyethyl)piperidin-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 112542253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).