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

C17H32N2O3 — CID 112542286

IUPACN-[5-(2-hydroxyethyl)-1-(3-methylbutanoyl)piperidin-3-yl]-2,2-dimethylpropanamide
SMILESCC(C)CC(=O)N1CC(CCO)CC(NC(=O)C(C)(C)C)C1
InChIInChI=1S/C17H32N2O3/c1-12(2)8-15(21)19-10-13(6-7-20)9-14(11-19)18-16(22)17(3,4)5/h12-14,20H,6-11H2,1-5H3,(H,18,22)
InChIKeyQYETUZUZOSRDCQ-UHFFFAOYSA-N
MW312.45 g/mol
LogP1.79
Rot. Bonds5

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

N-[5-(2-hydroxyethyl)-1-(3-methylbutanoyl)piperidin-3-yl]-2,2-dimethylpropanamide (PubChem CID 112542286) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is N-[5-(2-hydroxyethyl)-1-(3-methylbutanoyl)piperidin-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-(2-hydroxyethyl)-1-(3-methylbutanoyl)piperidin-3-yl]-2,2-dimethylpropanamide
PubChem CID112542286
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC NameN-[5-(2-hydroxyethyl)-1-(3-methylbutanoyl)piperidin-3-yl]-2,2-dimethylpropanamide
SMILESCC(C)CC(=O)N1CC(CCO)CC(NC(=O)C(C)(C)C)C1
InChIInChI=1S/C17H32N2O3/c1-12(2)8-15(21)19-10-13(6-7-20)9-14(11-19)18-16(22)17(3,4)5/h12-14,20H,6-11H2,1-5H3,(H,18,22)
InChIKeyQYETUZUZOSRDCQ-UHFFFAOYSA-N
XLogP1.79
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2,2-dimethylpropylamino)-5-(2-hydroxyethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 83995107
N-[5-(2-hydroxyethyl)-1-(2-methylpropyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 112542163
tert-butyl N-[1-(3-methylbutanoyl)-5-propylpiperidin-3-yl]carbamate
CID 112544520
1-[3-(cyclopropylamino)-5-propylpiperidin-1-yl]-3-methylbutan-1-one
CID 112541315
N-[5-(3-hydroxypropyl)-1-(3-methylcyclobutyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 112542404
1-[3-ethyl-5-(propylamino)piperidin-1-yl]-3-methylbutan-1-one
CID 83991039
methyl 3-(cyclopropylmethyl)-5-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate
CID 112542210
N-[1-(1-cyclopropylethyl)-5-propylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 112542431
N-[1-butanoyl-5-(3-hydroxypropyl)piperidin-3-yl]-2-methylpropanamide
CID 112542725
N-[5-(1-hydroxyethyl)-1-(2-methylpropanoyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 112542313
ethyl 3-(cyclopropylmethyl)-5-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate
CID 112542221
1-[3-(3-hydroxypropyl)-5-(2-methylpropylamino)piperidin-1-yl]butan-1-one
CID 83994409

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-hydroxyethyl)-1-(3-methylbutanoyl)piperidin-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-(2-hydroxyethyl)-1-(3-methylbutanoyl)piperidin-3-yl]-2,2-dimethylpropanamide (CID 112542286) is N-[5-(2-hydroxyethyl)-1-(3-methylbutanoyl)piperidin-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-(2-hydroxyethyl)-1-(3-methylbutanoyl)piperidin-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-(2-hydroxyethyl)-1-(3-methylbutanoyl)piperidin-3-yl]-2,2-dimethylpropanamide is CC(C)CC(=O)N1CC(CCO)CC(NC(=O)C(C)(C)C)C1.
What is the InChIKey of N-[5-(2-hydroxyethyl)-1-(3-methylbutanoyl)piperidin-3-yl]-2,2-dimethylpropanamide?
The InChIKey is QYETUZUZOSRDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-12(2)8-15(21)19-10-13(6-7-20)9-14(11-19)18-16(22)17(3,4)5/h12-14,20H,6-11H2,1-5H3,(H,18,22).
What are the key properties of N-[5-(2-hydroxyethyl)-1-(3-methylbutanoyl)piperidin-3-yl]-2,2-dimethylpropanamide?
N-[5-(2-hydroxyethyl)-1-(3-methylbutanoyl)piperidin-3-yl]-2,2-dimethylpropanamide has a molecular weight of 312.45 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-hydroxyethyl)-1-(3-methylbutanoyl)piperidin-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 112542286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).