N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-3-(1-methylpiperidin-4-yl)propanamide

C18H28N2O3 — CID 164636089

IUPACN-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-3-(1-methylpiperidin-4-yl)propanamide
SMILESC[C@H](NC(=O)CCC1CCN(C)CC1)[C@H](O)c1ccc(O)cc1
InChIInChI=1S/C18H28N2O3/c1-13(18(23)15-4-6-16(21)7-5-15)19-17(22)8-3-14-9-11-20(2)12-10-14/h4-7,13-14,18,21,23H,3,8-12H2,1-2H3,(H,19,22)/t13-,18-/m0/s1
InChIKeyGHXROBNEMUUCDJ-UGSOOPFHSA-N
MW320.43 g/mol
LogP2.05
Rot. Bonds6

About N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-3-(1-methylpiperidin-4-yl)propanamide

N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-3-(1-methylpiperidin-4-yl)propanamide (PubChem CID 164636089) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-3-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound NameN-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-3-(1-methylpiperidin-4-yl)propanamide
PubChem CID164636089
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-3-(1-methylpiperidin-4-yl)propanamide
SMILESC[C@H](NC(=O)CCC1CCN(C)CC1)[C@H](O)c1ccc(O)cc1
InChIInChI=1S/C18H28N2O3/c1-13(18(23)15-4-6-16(21)7-5-15)19-17(22)8-3-14-9-11-20(2)12-10-14/h4-7,13-14,18,21,23H,3,8-12H2,1-2H3,(H,19,22)/t13-,18-/m0/s1
InChIKeyGHXROBNEMUUCDJ-UGSOOPFHSA-N
XLogP2.05
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-3-(1-methylpiperidin-4-yl)propanamide with MolForge

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Related Compounds

1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]urea
CID 121497179
(2S)-3-methyl-2-[3-(1-methylpiperidin-4-yl)propanoylamino]butanoic acid
CID 110837593
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-2-(1-propylpiperidin-4-yl)acetamide
CID 72872753
N-[(R)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-(1-methylpiperidin-4-yl)propanamide
CID 126428451
N-(3,5-dimethylphenyl)-3-(1-methylpiperidin-4-yl)propanamide
CID 110857468
N-(2,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)propanamide
CID 110857210
N-(2-chlorophenyl)-3-(1-methylpiperidin-4-yl)propanamide
CID 110858773
N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]propanamide
CID 10152547
2-(4-hydroxyphenyl)-N-(1-methylpiperidin-4-yl)acetamide
CID 110463124
2-methyl-2-[3-(1-methylpiperidin-4-yl)propanoylamino]propanoic acid
CID 110837588
N-[1-hydroxy-1-(4-hydroxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]butanamide
CID 137419418
N-(5-bromo-2-pyridinyl)-3-(1-methylpiperidin-4-yl)propanamide
CID 115274071

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-3-(1-methylpiperidin-4-yl)propanamide?
The IUPAC name of N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-3-(1-methylpiperidin-4-yl)propanamide (CID 164636089) is N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-3-(1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-3-(1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-3-(1-methylpiperidin-4-yl)propanamide is C[C@H](NC(=O)CCC1CCN(C)CC1)[C@H](O)c1ccc(O)cc1.
What is the InChIKey of N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-3-(1-methylpiperidin-4-yl)propanamide?
The InChIKey is GHXROBNEMUUCDJ-UGSOOPFHSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-13(18(23)15-4-6-16(21)7-5-15)19-17(22)8-3-14-9-11-20(2)12-10-14/h4-7,13-14,18,21,23H,3,8-12H2,1-2H3,(H,19,22)/t13-,18-/m0/s1.
What are the key properties of N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-3-(1-methylpiperidin-4-yl)propanamide?
N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-3-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 320.43 g/mol, XLogP of 2.05, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-3-(1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 164636089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).