(2R)-N-[(3S)-1-methylpiperidin-3-yl]-2-phenylmethoxypropanamide

C16H24N2O2 — CID 94194356

IUPAC(2R)-N-[(3S)-1-methylpiperidin-3-yl]-2-phenylmethoxypropanamide
SMILESC[C@@H](OCc1ccccc1)C(=O)N[C@H]1CCCN(C)C1
InChIInChI=1S/C16H24N2O2/c1-13(20-12-14-7-4-3-5-8-14)16(19)17-15-9-6-10-18(2)11-15/h3-5,7-8,13,15H,6,9-12H2,1-2H3,(H,17,19)/t13-,15+/m1/s1
InChIKeyZVXMMDVKNVNONS-HIFRSBDPSA-N
MW276.38 g/mol
LogP1.80
Rot. Bonds5

About (2R)-N-[(3S)-1-methylpiperidin-3-yl]-2-phenylmethoxypropanamide

(2R)-N-[(3S)-1-methylpiperidin-3-yl]-2-phenylmethoxypropanamide (PubChem CID 94194356) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2R)-N-[(3S)-1-methylpiperidin-3-yl]-2-phenylmethoxypropanamide.

Molecular Properties

Compound Name(2R)-N-[(3S)-1-methylpiperidin-3-yl]-2-phenylmethoxypropanamide
PubChem CID94194356
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(2R)-N-[(3S)-1-methylpiperidin-3-yl]-2-phenylmethoxypropanamide
SMILESC[C@@H](OCc1ccccc1)C(=O)N[C@H]1CCCN(C)C1
InChIInChI=1S/C16H24N2O2/c1-13(20-12-14-7-4-3-5-8-14)16(19)17-15-9-6-10-18(2)11-15/h3-5,7-8,13,15H,6,9-12H2,1-2H3,(H,17,19)/t13-,15+/m1/s1
InChIKeyZVXMMDVKNVNONS-HIFRSBDPSA-N
XLogP1.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-phenylmethoxypiperidin-3-amine
CID 82710116
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenylmethoxypropanamide
CID 46429379
N-[2-(hydroxymethyl)cyclohexyl]-2-phenylmethoxypropanamide
CID 103860401
1-methyl-N-(4-phenylbutan-2-yl)piperidin-3-amine
CID 61210453
N-[2-(2-methylpiperidin-1-yl)ethyl]-2-phenylmethoxypropanamide
CID 47035903
1-(3-hydroxypiperidin-1-yl)-2-phenylmethoxypropan-1-one
CID 43428067
2-(2-fluorophenyl)-N-(1-methylpiperidin-3-yl)acetamide
CID 47344420
(2R)-2-amino-N-(1-methylpyrrolidin-3-yl)-3-phenylpropanamide
CID 78985707
2-methyl-N-[1-(2-phenylacetyl)piperidin-3-yl]propanamide
CID 127187955
(2R)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-phenylmethoxypropanamide
CID 94174701
N-(1-benzylpiperidin-3-yl)-2-(4-methylphenoxy)propanamide
CID 55645284
benzyl N-[1-(2-aminopropanoyl)piperidin-3-yl]carbamate
CID 77144045

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3S)-1-methylpiperidin-3-yl]-2-phenylmethoxypropanamide?
The IUPAC name of (2R)-N-[(3S)-1-methylpiperidin-3-yl]-2-phenylmethoxypropanamide (CID 94194356) is (2R)-N-[(3S)-1-methylpiperidin-3-yl]-2-phenylmethoxypropanamide.
What is the SMILES notation for (2R)-N-[(3S)-1-methylpiperidin-3-yl]-2-phenylmethoxypropanamide?
The canonical SMILES for (2R)-N-[(3S)-1-methylpiperidin-3-yl]-2-phenylmethoxypropanamide is C[C@@H](OCc1ccccc1)C(=O)N[C@H]1CCCN(C)C1.
What is the InChIKey of (2R)-N-[(3S)-1-methylpiperidin-3-yl]-2-phenylmethoxypropanamide?
The InChIKey is ZVXMMDVKNVNONS-HIFRSBDPSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13(20-12-14-7-4-3-5-8-14)16(19)17-15-9-6-10-18(2)11-15/h3-5,7-8,13,15H,6,9-12H2,1-2H3,(H,17,19)/t13-,15+/m1/s1.
What are the key properties of (2R)-N-[(3S)-1-methylpiperidin-3-yl]-2-phenylmethoxypropanamide?
(2R)-N-[(3S)-1-methylpiperidin-3-yl]-2-phenylmethoxypropanamide has a molecular weight of 276.38 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3S)-1-methylpiperidin-3-yl]-2-phenylmethoxypropanamide is sourced from PubChem (CID 94194356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).