(2S)-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]propanamide

C16H24N2O2 — CID 94199164

IUPAC(2S)-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]propanamide
SMILESCc1ccc(C)c(OC2CCN([C@@H](C)C(N)=O)CC2)c1
InChIInChI=1S/C16H24N2O2/c1-11-4-5-12(2)15(10-11)20-14-6-8-18(9-7-14)13(3)16(17)19/h4-5,10,13-14H,6-9H2,1-3H3,(H2,17,19)/t13-/m0/s1
InChIKeyDSQUIRNPTGXYRL-ZDUSSCGKSA-N
MW276.38 g/mol
LogP2.02
Rot. Bonds4

About (2S)-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]propanamide

(2S)-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]propanamide (PubChem CID 94199164) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2S)-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]propanamide
PubChem CID94199164
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(2S)-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]propanamide
SMILESCc1ccc(C)c(OC2CCN([C@@H](C)C(N)=O)CC2)c1
InChIInChI=1S/C16H24N2O2/c1-11-4-5-12(2)15(10-11)20-14-6-8-18(9-7-14)13(3)16(17)19/h4-5,10,13-14H,6-9H2,1-3H3,(H2,17,19)/t13-/m0/s1
InChIKeyDSQUIRNPTGXYRL-ZDUSSCGKSA-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

(2R)-2-[4-(2,6-dimethylphenoxy)piperidin-1-yl]propanamide
CID 94413323
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]propanamide
CID 60585163
(2S)-1-[4-(2,5-dimethylphenoxy)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 94624231
[4-(2,5-dimethylphenoxy)piperidin-1-yl]-(2-hydroxycyclopentyl)methanone
CID 110014286
cis-(1R,2S)-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]cyclohexan-1-ol
CID 97327792
[4-(2,5-dimethylphenoxy)piperidin-1-yl]-(1-hydroxycyclopentyl)methanone
CID 110907581
2-amino-1-[4-(2,5-dimethylphenoxy)piperidin-1-yl]-2-methylpentan-1-one
CID 119748409
[4-(2,5-dimethylphenoxy)piperidin-1-yl]-spiro[2.5]octan-6-ylmethanone
CID 154877625
N-[2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]-2-oxoethyl]benzamide
CID 60574366
2-cyclobutyloxy-4-methylbenzoic acid
CID 62700894
[4-(2,5-dimethylphenoxy)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 145375199
[4-(2,5-dimethylphenoxy)piperidin-1-yl]-[(2S)-morpholin-2-yl]methanone
CID 124695881

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]propanamide?
The IUPAC name of (2S)-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]propanamide (CID 94199164) is (2S)-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]propanamide.
What is the SMILES notation for (2S)-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]propanamide?
The canonical SMILES for (2S)-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]propanamide is Cc1ccc(C)c(OC2CCN([C@@H](C)C(N)=O)CC2)c1.
What is the InChIKey of (2S)-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]propanamide?
The InChIKey is DSQUIRNPTGXYRL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-4-5-12(2)15(10-11)20-14-6-8-18(9-7-14)13(3)16(17)19/h4-5,10,13-14H,6-9H2,1-3H3,(H2,17,19)/t13-/m0/s1.
What are the key properties of (2S)-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]propanamide?
(2S)-2-[4-(2,5-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 (2S)-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]propanamide is sourced from PubChem (CID 94199164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).