N-benzyl-3-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-N-methylpropanamide

C21H32N2O2 — CID 72933269

IUPACN-benzyl-3-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-N-methylpropanamide
SMILESC[C@@H]1CN(CCC(=O)N(C)Cc2ccccc2)CC[C@@]1(O)C1CCC1
InChIInChI=1S/C21H32N2O2/c1-17-15-23(14-12-21(17,25)19-9-6-10-19)13-11-20(24)22(2)16-18-7-4-3-5-8-18/h3-5,7-8,17,19,25H,6,9-16H2,1-2H3/t17-,21+/m1/s1
InChIKeyBDJRIDSWMIONBX-UTKZUKDTSA-N
MW344.50 g/mol
LogP2.91
Rot. Bonds6

About N-benzyl-3-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-N-methylpropanamide

N-benzyl-3-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-N-methylpropanamide (PubChem CID 72933269) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-benzyl-3-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-N-methylpropanamide
PubChem CID72933269
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC NameN-benzyl-3-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-N-methylpropanamide
SMILESC[C@@H]1CN(CCC(=O)N(C)Cc2ccccc2)CC[C@@]1(O)C1CCC1
InChIInChI=1S/C21H32N2O2/c1-17-15-23(14-12-21(17,25)19-9-6-10-19)13-11-20(24)22(2)16-18-7-4-3-5-8-18/h3-5,7-8,17,19,25H,6,9-16H2,1-2H3/t17-,21+/m1/s1
InChIKeyBDJRIDSWMIONBX-UTKZUKDTSA-N
XLogP2.91
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-N-methylpropanamide?
The IUPAC name of N-benzyl-3-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-N-methylpropanamide (CID 72933269) is N-benzyl-3-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-N-methylpropanamide.
What is the SMILES notation for N-benzyl-3-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-N-methylpropanamide?
The canonical SMILES for N-benzyl-3-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-N-methylpropanamide is C[C@@H]1CN(CCC(=O)N(C)Cc2ccccc2)CC[C@@]1(O)C1CCC1.
What is the InChIKey of N-benzyl-3-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-N-methylpropanamide?
The InChIKey is BDJRIDSWMIONBX-UTKZUKDTSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-17-15-23(14-12-21(17,25)19-9-6-10-19)13-11-20(24)22(2)16-18-7-4-3-5-8-18/h3-5,7-8,17,19,25H,6,9-16H2,1-2H3/t17-,21+/m1/s1.
What are the key properties of N-benzyl-3-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-N-methylpropanamide?
N-benzyl-3-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-N-methylpropanamide has a molecular weight of 344.50 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-N-methylpropanamide is sourced from PubChem (CID 72933269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).