(2S)-2-(2-methylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide

C16H24N2O2 — CID 27232779

IUPAC(2S)-2-(2-methylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide
SMILESCc1ccccc1O[C@@H](C)C(=O)NC1CCN(C)CC1
InChIInChI=1S/C16H24N2O2/c1-12-6-4-5-7-15(12)20-13(2)16(19)17-14-8-10-18(3)11-9-14/h4-7,13-14H,8-11H2,1-3H3,(H,17,19)/t13-/m0/s1
InChIKeyFBYVVYLPMJTPFG-ZDUSSCGKSA-N
MW276.38 g/mol
LogP1.97
Rot. Bonds4

About (2S)-2-(2-methylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide

(2S)-2-(2-methylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide (PubChem CID 27232779) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2S)-2-(2-methylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2-methylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide
PubChem CID27232779
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(2S)-2-(2-methylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide
SMILESCc1ccccc1O[C@@H](C)C(=O)NC1CCN(C)CC1
InChIInChI=1S/C16H24N2O2/c1-12-6-4-5-7-15(12)20-13(2)16(19)17-14-8-10-18(3)11-9-14/h4-7,13-14H,8-11H2,1-3H3,(H,17,19)/t13-/m0/s1
InChIKeyFBYVVYLPMJTPFG-ZDUSSCGKSA-N
XLogP1.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2-methylphenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 27233966
(2S)-N-cyclooctyl-2-(2-methylphenoxy)propanamide
CID 94842700
(2R)-N-(1-benzylpiperidin-4-yl)-2-(2-methylphenoxy)propanamide
CID 27233294
(2R)-N-cyclopropyl-2-(2,3-dimethylphenoxy)propanamide
CID 39717598
(2S)-2-(3,5-dimethylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide
CID 95712606
(2R)-2-(2-methylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 1254093
(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide
CID 95712610
ethyl 4-[2-(2-propan-2-ylphenoxy)propanoylamino]piperidine-1-carboxylate
CID 108560850
N-cycloheptyl-2-(2,3-dimethylphenoxy)propanamide
CID 46771593
2-(2-bromophenoxy)-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 25236767
(2R)-2-(3-chlorophenoxy)-N-(1-methylpiperidin-4-yl)propanamide
CID 42561318
2-(4-acetylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide
CID 91149656

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide?
The IUPAC name of (2S)-2-(2-methylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide (CID 27232779) is (2S)-2-(2-methylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for (2S)-2-(2-methylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for (2S)-2-(2-methylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide is Cc1ccccc1O[C@@H](C)C(=O)NC1CCN(C)CC1.
What is the InChIKey of (2S)-2-(2-methylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide?
The InChIKey is FBYVVYLPMJTPFG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-6-4-5-7-15(12)20-13(2)16(19)17-14-8-10-18(3)11-9-14/h4-7,13-14H,8-11H2,1-3H3,(H,17,19)/t13-/m0/s1.
What are the key properties of (2S)-2-(2-methylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide?
(2S)-2-(2-methylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 276.38 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 27232779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).