N-[[(3R)-1-[(2R)-2-hydroxybutyl]piperidin-3-yl]methyl]-2,2-dimethylpropanamide

C15H30N2O2 — CID 95624997

IUPACN-[[(3R)-1-[(2R)-2-hydroxybutyl]piperidin-3-yl]methyl]-2,2-dimethylpropanamide
SMILESCC[C@@H](O)CN1CCC[C@H](CNC(=O)C(C)(C)C)C1
InChIInChI=1S/C15H30N2O2/c1-5-13(18)11-17-8-6-7-12(10-17)9-16-14(19)15(2,3)4/h12-13,18H,5-11H2,1-4H3,(H,16,19)/t12-,13-/m1/s1
InChIKeyGSWRNMNRZJSCPG-CHWSQXEVSA-N
MW270.42 g/mol
LogP1.63
Rot. Bonds5

About N-[[(3R)-1-[(2R)-2-hydroxybutyl]piperidin-3-yl]methyl]-2,2-dimethylpropanamide

N-[[(3R)-1-[(2R)-2-hydroxybutyl]piperidin-3-yl]methyl]-2,2-dimethylpropanamide (PubChem CID 95624997) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-[[(3R)-1-[(2R)-2-hydroxybutyl]piperidin-3-yl]methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[(3R)-1-[(2R)-2-hydroxybutyl]piperidin-3-yl]methyl]-2,2-dimethylpropanamide
PubChem CID95624997
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC NameN-[[(3R)-1-[(2R)-2-hydroxybutyl]piperidin-3-yl]methyl]-2,2-dimethylpropanamide
SMILESCC[C@@H](O)CN1CCC[C@H](CNC(=O)C(C)(C)C)C1
InChIInChI=1S/C15H30N2O2/c1-5-13(18)11-17-8-6-7-12(10-17)9-16-14(19)15(2,3)4/h12-13,18H,5-11H2,1-4H3,(H,16,19)/t12-,13-/m1/s1
InChIKeyGSWRNMNRZJSCPG-CHWSQXEVSA-N
XLogP1.63
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-hydroxybutyl)piperidin-3-yl]methyl]butanamide
CID 111106203
N-[[1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperidin-3-yl]methyl]-2-methylpropanamide
CID 111106202
N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]acetamide
CID 95187387
2-[3-[(2,2-dimethylpropanoylamino)methyl]piperidin-1-yl]propanoic acid
CID 119135503
N-[[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]methyl]-2,2-dimethylpropanamide
CID 119779313
2,2-dimethyl-N-[[(3R)-1-[(2,2,3,3-tetramethyl-4-oxoazetidin-1-yl)methyl]piperidin-3-yl]methyl]propanamide
CID 99814075
2-cyclopentyl-N-[(1-ethylpiperidin-3-yl)methyl]acetamide
CID 75418465
N-[[(3S)-1-(2,2-dimethylpropyl)piperidin-3-yl]methyl]acetamide
CID 58877734
[(3R)-1-[(2R)-2-hydroxy-3-pyrazol-1-ylpropyl]piperidin-3-yl]methylurea
CID 94176749
1-butoxy-3-[3-[(tert-butylamino)methyl]piperidin-1-yl]propan-2-ol
CID 107264399
N-[[1-[3-(4-fluorophenoxy)-2-hydroxypropyl]piperidin-3-yl]methyl]acetamide
CID 110908283
1-(3-ethylpyrrolidin-1-yl)butan-2-ol
CID 115688740

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-[(2R)-2-hydroxybutyl]piperidin-3-yl]methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[[(3R)-1-[(2R)-2-hydroxybutyl]piperidin-3-yl]methyl]-2,2-dimethylpropanamide (CID 95624997) is N-[[(3R)-1-[(2R)-2-hydroxybutyl]piperidin-3-yl]methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[(3R)-1-[(2R)-2-hydroxybutyl]piperidin-3-yl]methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[[(3R)-1-[(2R)-2-hydroxybutyl]piperidin-3-yl]methyl]-2,2-dimethylpropanamide is CC[C@@H](O)CN1CCC[C@H](CNC(=O)C(C)(C)C)C1.
What is the InChIKey of N-[[(3R)-1-[(2R)-2-hydroxybutyl]piperidin-3-yl]methyl]-2,2-dimethylpropanamide?
The InChIKey is GSWRNMNRZJSCPG-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-5-13(18)11-17-8-6-7-12(10-17)9-16-14(19)15(2,3)4/h12-13,18H,5-11H2,1-4H3,(H,16,19)/t12-,13-/m1/s1.
What are the key properties of N-[[(3R)-1-[(2R)-2-hydroxybutyl]piperidin-3-yl]methyl]-2,2-dimethylpropanamide?
N-[[(3R)-1-[(2R)-2-hydroxybutyl]piperidin-3-yl]methyl]-2,2-dimethylpropanamide has a molecular weight of 270.42 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-[(2R)-2-hydroxybutyl]piperidin-3-yl]methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 95624997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).