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

C16H30N2O3 — CID 112542313

IUPACN-[5-(1-hydroxyethyl)-1-(2-methylpropanoyl)piperidin-3-yl]-2,2-dimethylpropanamide
SMILESCC(C)C(=O)N1CC(NC(=O)C(C)(C)C)CC(C(C)O)C1
InChIInChI=1S/C16H30N2O3/c1-10(2)14(20)18-8-12(11(3)19)7-13(9-18)17-15(21)16(4,5)6/h10-13,19H,7-9H2,1-6H3,(H,17,21)
InChIKeyNLOKALCAEFLJAT-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.40
Rot. Bonds3

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

N-[5-(1-hydroxyethyl)-1-(2-methylpropanoyl)piperidin-3-yl]-2,2-dimethylpropanamide (PubChem CID 112542313) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is N-[5-(1-hydroxyethyl)-1-(2-methylpropanoyl)piperidin-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-(1-hydroxyethyl)-1-(2-methylpropanoyl)piperidin-3-yl]-2,2-dimethylpropanamide
PubChem CID112542313
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC NameN-[5-(1-hydroxyethyl)-1-(2-methylpropanoyl)piperidin-3-yl]-2,2-dimethylpropanamide
SMILESCC(C)C(=O)N1CC(NC(=O)C(C)(C)C)CC(C(C)O)C1
InChIInChI=1S/C16H30N2O3/c1-10(2)14(20)18-8-12(11(3)19)7-13(9-18)17-15(21)16(4,5)6/h10-13,19H,7-9H2,1-6H3,(H,17,21)
InChIKeyNLOKALCAEFLJAT-UHFFFAOYSA-N
XLogP1.40
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-acetyl-5-(1-hydroxyethyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 112542253
N-[5-(1-hydroxyethyl)-1-methylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 112542096
1-[3-(1-hydroxyethyl)-5-(methylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 83989811
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-(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]ethanone
CID 83989743
1-[3-(2,2-dimethylpropylamino)-5-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 83995067
tert-butyl N-[1-(2-methylpropanoyl)azetidin-3-yl]carbamate
CID 146600918
ethyl 3-(ethoxycarbonylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate
CID 112543799
N-[5-(2-hydroxyethyl)-1-(3-methylbutanoyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 112542286

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-hydroxyethyl)-1-(2-methylpropanoyl)piperidin-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-(1-hydroxyethyl)-1-(2-methylpropanoyl)piperidin-3-yl]-2,2-dimethylpropanamide (CID 112542313) is N-[5-(1-hydroxyethyl)-1-(2-methylpropanoyl)piperidin-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-(1-hydroxyethyl)-1-(2-methylpropanoyl)piperidin-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-(1-hydroxyethyl)-1-(2-methylpropanoyl)piperidin-3-yl]-2,2-dimethylpropanamide is CC(C)C(=O)N1CC(NC(=O)C(C)(C)C)CC(C(C)O)C1.
What is the InChIKey of N-[5-(1-hydroxyethyl)-1-(2-methylpropanoyl)piperidin-3-yl]-2,2-dimethylpropanamide?
The InChIKey is NLOKALCAEFLJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-10(2)14(20)18-8-12(11(3)19)7-13(9-18)17-15(21)16(4,5)6/h10-13,19H,7-9H2,1-6H3,(H,17,21).
What are the key properties of N-[5-(1-hydroxyethyl)-1-(2-methylpropanoyl)piperidin-3-yl]-2,2-dimethylpropanamide?
N-[5-(1-hydroxyethyl)-1-(2-methylpropanoyl)piperidin-3-yl]-2,2-dimethylpropanamide has a molecular weight of 298.43 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-hydroxyethyl)-1-(2-methylpropanoyl)piperidin-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 112542313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).