(2R)-N-(1-benzylpiperidin-4-yl)-2-(2-methylphenoxy)propanamide

C22H28N2O2 — CID 27233294

IUPAC(2R)-N-(1-benzylpiperidin-4-yl)-2-(2-methylphenoxy)propanamide
SMILESCc1ccccc1O[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H28N2O2/c1-17-8-6-7-11-21(17)26-18(2)22(25)23-20-12-14-24(15-13-20)16-19-9-4-3-5-10-19/h3-11,18,20H,12-16H2,1-2H3,(H,23,25)/t18-/m1/s1
InChIKeyXTCFXHDHCWBMIT-GOSISDBHSA-N
MW352.48 g/mol
LogP3.54
Rot. Bonds6

About (2R)-N-(1-benzylpiperidin-4-yl)-2-(2-methylphenoxy)propanamide

(2R)-N-(1-benzylpiperidin-4-yl)-2-(2-methylphenoxy)propanamide (PubChem CID 27233294) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is (2R)-N-(1-benzylpiperidin-4-yl)-2-(2-methylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(1-benzylpiperidin-4-yl)-2-(2-methylphenoxy)propanamide
PubChem CID27233294
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name(2R)-N-(1-benzylpiperidin-4-yl)-2-(2-methylphenoxy)propanamide
SMILESCc1ccccc1O[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H28N2O2/c1-17-8-6-7-11-21(17)26-18(2)22(25)23-20-12-14-24(15-13-20)16-19-9-4-3-5-10-19/h3-11,18,20H,12-16H2,1-2H3,(H,23,25)/t18-/m1/s1
InChIKeyXTCFXHDHCWBMIT-GOSISDBHSA-N
XLogP3.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-phenoxypropanamide
CID 3246759
(2R)-2-(2-methylphenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 27233966
(2S)-2-(2-methylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide
CID 27232779
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
N-(1-benzylpiperidin-4-yl)-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 136517640
(2S)-N-cyclooctyl-2-(2-methylphenoxy)propanamide
CID 94842700
2-(2-chloro-5-methylphenoxy)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propanamide
CID 55946356
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenylmethoxypropanamide
CID 46429379
(2R)-N-(1-benzylpiperidin-4-yl)-2-hydroxy-2-phenylacetamide
CID 118541642
N-(1-benzylpiperidin-4-yl)-2-(2-methylphenyl)sulfanylacetamide
CID 26691346
2-(4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide
CID 24504184
N-(1-benzylpiperidin-4-yl)-2-hydroxy-3-methyl-2-(2-methylphenyl)butanamide
CID 68870361

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1-benzylpiperidin-4-yl)-2-(2-methylphenoxy)propanamide?
The IUPAC name of (2R)-N-(1-benzylpiperidin-4-yl)-2-(2-methylphenoxy)propanamide (CID 27233294) is (2R)-N-(1-benzylpiperidin-4-yl)-2-(2-methylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-(1-benzylpiperidin-4-yl)-2-(2-methylphenoxy)propanamide?
The canonical SMILES for (2R)-N-(1-benzylpiperidin-4-yl)-2-(2-methylphenoxy)propanamide is Cc1ccccc1O[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (2R)-N-(1-benzylpiperidin-4-yl)-2-(2-methylphenoxy)propanamide?
The InChIKey is XTCFXHDHCWBMIT-GOSISDBHSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-17-8-6-7-11-21(17)26-18(2)22(25)23-20-12-14-24(15-13-20)16-19-9-4-3-5-10-19/h3-11,18,20H,12-16H2,1-2H3,(H,23,25)/t18-/m1/s1.
What are the key properties of (2R)-N-(1-benzylpiperidin-4-yl)-2-(2-methylphenoxy)propanamide?
(2R)-N-(1-benzylpiperidin-4-yl)-2-(2-methylphenoxy)propanamide has a molecular weight of 352.48 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1-benzylpiperidin-4-yl)-2-(2-methylphenoxy)propanamide is sourced from PubChem (CID 27233294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).