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

C13H26N2O2 — CID 112542096

IUPACN-[5-(1-hydroxyethyl)-1-methylpiperidin-3-yl]-2,2-dimethylpropanamide
SMILESCC(O)C1CC(NC(=O)C(C)(C)C)CN(C)C1
InChIInChI=1S/C13H26N2O2/c1-9(16)10-6-11(8-15(5)7-10)14-12(17)13(2,3)4/h9-11,16H,6-8H2,1-5H3,(H,14,17)
InChIKeyVMEQPXZFHGIECL-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.85
Rot. Bonds2

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

N-[5-(1-hydroxyethyl)-1-methylpiperidin-3-yl]-2,2-dimethylpropanamide (PubChem CID 112542096) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-[5-(1-hydroxyethyl)-1-methylpiperidin-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-(1-hydroxyethyl)-1-methylpiperidin-3-yl]-2,2-dimethylpropanamide
PubChem CID112542096
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-[5-(1-hydroxyethyl)-1-methylpiperidin-3-yl]-2,2-dimethylpropanamide
SMILESCC(O)C1CC(NC(=O)C(C)(C)C)CN(C)C1
InChIInChI=1S/C13H26N2O2/c1-9(16)10-6-11(8-15(5)7-10)14-12(17)13(2,3)4/h9-11,16H,6-8H2,1-5H3,(H,14,17)
InChIKeyVMEQPXZFHGIECL-UHFFFAOYSA-N
XLogP0.85
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.85
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-[1-acetyl-5-(1-hydroxyethyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 112542253
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-[5-(ethylamino)-1-methylpiperidin-3-yl]ethanol
CID 83990165
N-[5-(cyclopropylmethyl)-1-methylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 112542085
methyl N-(1-methyl-5-propan-2-ylpiperidin-3-yl)carbamate
CID 112542976
2,2-dimethyl-N-[1-methyl-5-(4-methylphenyl)piperidin-3-yl]propanamide
CID 112542110
2,2-dimethyl-N-[(3S)-1-methylpyrrolidin-3-yl]propanamide
CID 58679843
N-[1-(2-acetamidoethyl)-5-propan-2-ylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 112542523
2,2-dimethyl-N-(5-methyl-1-propan-2-ylpiperidin-3-yl)propanamide
CID 112542188
1-[5-(cyclopentylmethylamino)-1-methylpiperidin-3-yl]ethanol
CID 83997610

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-hydroxyethyl)-1-methylpiperidin-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-(1-hydroxyethyl)-1-methylpiperidin-3-yl]-2,2-dimethylpropanamide (CID 112542096) is N-[5-(1-hydroxyethyl)-1-methylpiperidin-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-(1-hydroxyethyl)-1-methylpiperidin-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-(1-hydroxyethyl)-1-methylpiperidin-3-yl]-2,2-dimethylpropanamide is CC(O)C1CC(NC(=O)C(C)(C)C)CN(C)C1.
What is the InChIKey of N-[5-(1-hydroxyethyl)-1-methylpiperidin-3-yl]-2,2-dimethylpropanamide?
The InChIKey is VMEQPXZFHGIECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-9(16)10-6-11(8-15(5)7-10)14-12(17)13(2,3)4/h9-11,16H,6-8H2,1-5H3,(H,14,17).
What are the key properties of N-[5-(1-hydroxyethyl)-1-methylpiperidin-3-yl]-2,2-dimethylpropanamide?
N-[5-(1-hydroxyethyl)-1-methylpiperidin-3-yl]-2,2-dimethylpropanamide has a molecular weight of 242.36 g/mol, XLogP of 0.85, 2 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-methylpiperidin-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 112542096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).