(2S)-2-(3,5-dimethylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide

C17H26N2O2 — CID 95712606

IUPAC(2S)-2-(3,5-dimethylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide
SMILESCc1cc(C)cc(O[C@@H](C)C(=O)NC2CCN(C)CC2)c1
InChIInChI=1S/C17H26N2O2/c1-12-9-13(2)11-16(10-12)21-14(3)17(20)18-15-5-7-19(4)8-6-15/h9-11,14-15H,5-8H2,1-4H3,(H,18,20)/t14-/m0/s1
InChIKeyXRZSSPMQFLUXKA-AWEZNQCLSA-N
MW290.41 g/mol
LogP2.28
Rot. Bonds4

About (2S)-2-(3,5-dimethylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide

(2S)-2-(3,5-dimethylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide (PubChem CID 95712606) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (2S)-2-(3,5-dimethylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(3,5-dimethylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide
PubChem CID95712606
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(2S)-2-(3,5-dimethylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide
SMILESCc1cc(C)cc(O[C@@H](C)C(=O)NC2CCN(C)CC2)c1
InChIInChI=1S/C17H26N2O2/c1-12-9-13(2)11-16(10-12)21-14(3)17(20)18-15-5-7-19(4)8-6-15/h9-11,14-15H,5-8H2,1-4H3,(H,18,20)/t14-/m0/s1
InChIKeyXRZSSPMQFLUXKA-AWEZNQCLSA-N
XLogP2.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide
CID 95712610
(2S)-2-(3,5-dimethylphenoxy)-N-(1-methylpiperidin-4-yl)butanamide
CID 99133321
(2R)-2-(3-chlorophenoxy)-N-(1-methylpiperidin-4-yl)propanamide
CID 42561318
2-(4-acetylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide
CID 91149656
(2S)-2-(2-methylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide
CID 27232779
(2S)-2-(3,5-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 99972774
(2S)-2-(4-methylphenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 27211856
(2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(1-methylpiperidin-4-yl)propanamide
CID 95397525
2-(4-bromo-3,5-dimethylphenoxy)-N-cyclopropylpropanamide
CID 103520360
2-(3,5-dimethylphenoxy)propanehydrazide
CID 2758585
N-cyclooctyl-2-(3-methylphenoxy)propanamide
CID 2976571
N-cyclododecyl-2-(3-methylphenoxy)propanamide
CID 3912808

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,5-dimethylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide?
The IUPAC name of (2S)-2-(3,5-dimethylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide (CID 95712606) is (2S)-2-(3,5-dimethylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for (2S)-2-(3,5-dimethylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for (2S)-2-(3,5-dimethylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide is Cc1cc(C)cc(O[C@@H](C)C(=O)NC2CCN(C)CC2)c1.
What is the InChIKey of (2S)-2-(3,5-dimethylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide?
The InChIKey is XRZSSPMQFLUXKA-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12-9-13(2)11-16(10-12)21-14(3)17(20)18-15-5-7-19(4)8-6-15/h9-11,14-15H,5-8H2,1-4H3,(H,18,20)/t14-/m0/s1.
What are the key properties of (2S)-2-(3,5-dimethylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide?
(2S)-2-(3,5-dimethylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 290.41 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,5-dimethylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 95712606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).