3-[(3S)-1-[(2R)-2-methoxy-2-phenylethyl]piperidin-3-yl]propanamide

C17H26N2O2 — CID 124843943

IUPAC3-[(3S)-1-[(2R)-2-methoxy-2-phenylethyl]piperidin-3-yl]propanamide
SMILESCO[C@@H](CN1CCC[C@@H](CCC(N)=O)C1)c1ccccc1
InChIInChI=1S/C17H26N2O2/c1-21-16(15-7-3-2-4-8-15)13-19-11-5-6-14(12-19)9-10-17(18)20/h2-4,7-8,14,16H,5-6,9-13H2,1H3,(H2,18,20)/t14-,16-/m0/s1
InChIKeyFKXVDFKGMHWTHP-HOCLYGCPSA-N
MW290.41 g/mol
LogP2.35
Rot. Bonds7

About 3-[(3S)-1-[(2R)-2-methoxy-2-phenylethyl]piperidin-3-yl]propanamide

3-[(3S)-1-[(2R)-2-methoxy-2-phenylethyl]piperidin-3-yl]propanamide (PubChem CID 124843943) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-[(3S)-1-[(2R)-2-methoxy-2-phenylethyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound Name3-[(3S)-1-[(2R)-2-methoxy-2-phenylethyl]piperidin-3-yl]propanamide
PubChem CID124843943
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-[(3S)-1-[(2R)-2-methoxy-2-phenylethyl]piperidin-3-yl]propanamide
SMILESCO[C@@H](CN1CCC[C@@H](CCC(N)=O)C1)c1ccccc1
InChIInChI=1S/C17H26N2O2/c1-21-16(15-7-3-2-4-8-15)13-19-11-5-6-14(12-19)9-10-17(18)20/h2-4,7-8,14,16H,5-6,9-13H2,1H3,(H2,18,20)/t14-,16-/m0/s1
InChIKeyFKXVDFKGMHWTHP-HOCLYGCPSA-N
XLogP2.35
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]propanamide
CID 75514876
3-[1-[(Z)-4-methyl-2-phenylpent-2-enyl]piperidin-3-yl]propanamide
CID 131925370
3-[(3R)-1-[(2-ethylphenyl)methyl]piperidin-3-yl]propanamide
CID 95716606
methyl 3-[3-(aminomethyl)piperidin-1-yl]-2-phenylpropanoate
CID 64559049
methyl 3-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylpropanoate
CID 64564821
3-[1-(2-amino-2-phenylacetyl)piperidin-3-yl]propanamide
CID 119308870
3-[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]propanamide;hydrochloride
CID 119758309
3-[1-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]piperidin-3-yl]propanamide
CID 110924117
(3R)-3-(3-amino-3-oxopropyl)-N-[(R)-cyclobutyl(phenyl)methyl]piperidine-1-carboxamide
CID 95573097
3-[3-(aminomethyl)piperidin-1-yl]-2-phenylpropanoic acid
CID 64558858
3-[(3S)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide
CID 95722904
[1-phenyl-2-[3-[(N-propanoylanilino)methyl]piperidin-1-yl]ethyl] propanoate
CID 20598068

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-[(2R)-2-methoxy-2-phenylethyl]piperidin-3-yl]propanamide?
The IUPAC name of 3-[(3S)-1-[(2R)-2-methoxy-2-phenylethyl]piperidin-3-yl]propanamide (CID 124843943) is 3-[(3S)-1-[(2R)-2-methoxy-2-phenylethyl]piperidin-3-yl]propanamide.
What is the SMILES notation for 3-[(3S)-1-[(2R)-2-methoxy-2-phenylethyl]piperidin-3-yl]propanamide?
The canonical SMILES for 3-[(3S)-1-[(2R)-2-methoxy-2-phenylethyl]piperidin-3-yl]propanamide is CO[C@@H](CN1CCC[C@@H](CCC(N)=O)C1)c1ccccc1.
What is the InChIKey of 3-[(3S)-1-[(2R)-2-methoxy-2-phenylethyl]piperidin-3-yl]propanamide?
The InChIKey is FKXVDFKGMHWTHP-HOCLYGCPSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-21-16(15-7-3-2-4-8-15)13-19-11-5-6-14(12-19)9-10-17(18)20/h2-4,7-8,14,16H,5-6,9-13H2,1H3,(H2,18,20)/t14-,16-/m0/s1.
What are the key properties of 3-[(3S)-1-[(2R)-2-methoxy-2-phenylethyl]piperidin-3-yl]propanamide?
3-[(3S)-1-[(2R)-2-methoxy-2-phenylethyl]piperidin-3-yl]propanamide has a molecular weight of 290.41 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-[(2R)-2-methoxy-2-phenylethyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 124843943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).