3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanamide

C16H24N2O2 — CID 141106178

IUPAC3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanamide
SMILESC[C@H]1CN(CCC(N)=O)CC[C@@]1(C)c1cccc(O)c1
InChIInChI=1S/C16H24N2O2/c1-12-11-18(8-6-15(17)20)9-7-16(12,2)13-4-3-5-14(19)10-13/h3-5,10,12,19H,6-9,11H2,1-2H3,(H2,17,20)/t12-,16+/m0/s1
InChIKeyCPMZOSRSAZQJPE-BLLLJJGKSA-N
MW276.38 g/mol
LogP1.87
Rot. Bonds4

About 3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanamide

3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanamide (PubChem CID 141106178) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanamide.

Molecular Properties

Compound Name3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanamide
PubChem CID141106178
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanamide
SMILESC[C@H]1CN(CCC(N)=O)CC[C@@]1(C)c1cccc(O)c1
InChIInChI=1S/C16H24N2O2/c1-12-11-18(8-6-15(17)20)9-7-16(12,2)13-4-3-5-14(19)10-13/h3-5,10,12,19H,6-9,11H2,1-2H3,(H2,17,20)/t12-,16+/m0/s1
InChIKeyCPMZOSRSAZQJPE-BLLLJJGKSA-N
XLogP1.87
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]butan-2-one
CID 58583518
1-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]hexan-3-one;hydrochloride
CID 19933912
N'-cyclohexyl-N'-[2-[(3R,4S)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]ethyl]butanediamide;hydrochloride
CID 67792979
3-[(3R,4R)-3,4-dimethyl-1-pentylpiperidin-4-yl]phenol
CID 10423544
3-[(3R,4S)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-1-thiophen-2-ylpropan-1-one
CID 18637230
3-[(3R,4S)-1-heptyl-3,4-dimethylpiperidin-4-yl]phenol;hydrochloride
CID 18637251
3-[(3R,4S)-3,4-dimethyl-1-(5-methylhexyl)piperidin-4-yl]phenol
CID 18637244
(2S)-2-[3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoylamino]pentanedioic acid
CID 50943207
3-[(3R,4R)-3,4-dimethyl-1-(4-phenylbutyl)piperidin-4-yl]phenol
CID 10382459
3-[(3R,4S)-1-[(3R)-3-hydroxy-4-methylpentyl]-3,4-dimethylpiperidin-4-yl]phenol
CID 18637263
3-[(3R,4S)-1-(2-cyclohexylethyl)-3,4-dimethylpiperidin-4-yl]phenol
CID 18637216
3-[(3R,4S)-1-[(3R)-3-hydroxy-4-methylpentyl]-3,4-dimethylpiperidin-4-yl]phenol;hydrochloride
CID 18637262

Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanamide?
The IUPAC name of 3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanamide (CID 141106178) is 3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanamide.
What is the SMILES notation for 3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanamide?
The canonical SMILES for 3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanamide is C[C@H]1CN(CCC(N)=O)CC[C@@]1(C)c1cccc(O)c1.
What is the InChIKey of 3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanamide?
The InChIKey is CPMZOSRSAZQJPE-BLLLJJGKSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-11-18(8-6-15(17)20)9-7-16(12,2)13-4-3-5-14(19)10-13/h3-5,10,12,19H,6-9,11H2,1-2H3,(H2,17,20)/t12-,16+/m0/s1.
What are the key properties of 3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanamide?
3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanamide has a molecular weight of 276.38 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanamide is sourced from PubChem (CID 141106178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).