(2R)-2-[4-(2,6-dimethylphenoxy)piperidin-1-yl]propanamide

C16H24N2O2 — CID 94413323

IUPAC(2R)-2-[4-(2,6-dimethylphenoxy)piperidin-1-yl]propanamide
SMILESCc1cccc(C)c1OC1CCN([C@H](C)C(N)=O)CC1
InChIInChI=1S/C16H24N2O2/c1-11-5-4-6-12(2)15(11)20-14-7-9-18(10-8-14)13(3)16(17)19/h4-6,13-14H,7-10H2,1-3H3,(H2,17,19)/t13-/m1/s1
InChIKeyUOGPISMLJQBHJT-CYBMUJFWSA-N
MW276.38 g/mol
LogP2.02
Rot. Bonds4

About (2R)-2-[4-(2,6-dimethylphenoxy)piperidin-1-yl]propanamide

(2R)-2-[4-(2,6-dimethylphenoxy)piperidin-1-yl]propanamide (PubChem CID 94413323) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2R)-2-[4-(2,6-dimethylphenoxy)piperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-[4-(2,6-dimethylphenoxy)piperidin-1-yl]propanamide
PubChem CID94413323
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(2R)-2-[4-(2,6-dimethylphenoxy)piperidin-1-yl]propanamide
SMILESCc1cccc(C)c1OC1CCN([C@H](C)C(N)=O)CC1
InChIInChI=1S/C16H24N2O2/c1-11-5-4-6-12(2)15(11)20-14-7-9-18(10-8-14)13(3)16(17)19/h4-6,13-14H,7-10H2,1-3H3,(H2,17,19)/t13-/m1/s1
InChIKeyUOGPISMLJQBHJT-CYBMUJFWSA-N
XLogP2.02
TPSA55.56 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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]propanamide
CID 94199164
[(2R)-1-[4-(2,6-dimethylphenoxy)piperidin-1-yl]-1-oxopropan-2-yl]urea
CID 94636207
2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]propanoic acid
CID 119134759
(2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
CID 8582667
[4-(2,6-dimethylphenoxy)piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 56814277
3-methyl-2-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide
CID 107110675
1-[(2R)-1-amino-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 9134531
2-(4-phenoxypiperidin-1-yl)-1-phenylpropan-1-one;hydrochloride
CID 117067726
2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propanamide
CID 47053789
1-(2-cyclopentyloxy-3-methylphenyl)ethanone
CID 82079338
2-(4-formylpiperidin-1-yl)propanamide
CID 62656288
methyl 4-[[4-(2,6-dimethylphenoxy)piperidin-1-yl]methyl]-3-propan-2-yloxybenzoate
CID 23157284

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(2,6-dimethylphenoxy)piperidin-1-yl]propanamide?
The IUPAC name of (2R)-2-[4-(2,6-dimethylphenoxy)piperidin-1-yl]propanamide (CID 94413323) is (2R)-2-[4-(2,6-dimethylphenoxy)piperidin-1-yl]propanamide.
What is the SMILES notation for (2R)-2-[4-(2,6-dimethylphenoxy)piperidin-1-yl]propanamide?
The canonical SMILES for (2R)-2-[4-(2,6-dimethylphenoxy)piperidin-1-yl]propanamide is Cc1cccc(C)c1OC1CCN([C@H](C)C(N)=O)CC1.
What is the InChIKey of (2R)-2-[4-(2,6-dimethylphenoxy)piperidin-1-yl]propanamide?
The InChIKey is UOGPISMLJQBHJT-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-5-4-6-12(2)15(11)20-14-7-9-18(10-8-14)13(3)16(17)19/h4-6,13-14H,7-10H2,1-3H3,(H2,17,19)/t13-/m1/s1.
What are the key properties of (2R)-2-[4-(2,6-dimethylphenoxy)piperidin-1-yl]propanamide?
(2R)-2-[4-(2,6-dimethylphenoxy)piperidin-1-yl]propanamide has a molecular weight of 276.38 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(2,6-dimethylphenoxy)piperidin-1-yl]propanamide is sourced from PubChem (CID 94413323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).