N-[(1R)-1-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]-N,2-dimethylpropanamide

C26H36N2O3 — CID 42236999

IUPACN-[(1R)-1-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]-N,2-dimethylpropanamide
SMILESCOc1ccc(O)c(CN2CCC([C@@H](Cc3ccccc3)N(C)C(=O)C(C)C)CC2)c1
InChIInChI=1S/C26H36N2O3/c1-19(2)26(30)27(3)24(16-20-8-6-5-7-9-20)21-12-14-28(15-13-21)18-22-17-23(31-4)10-11-25(22)29/h5-11,17,19,21,24,29H,12-16,18H2,1-4H3/t24-/m1/s1
InChIKeyCYOSHUDXGPHTFL-XMMPIXPASA-N
MW424.59 g/mol
LogP4.34
Rot. Bonds8

About N-[(1R)-1-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]-N,2-dimethylpropanamide

N-[(1R)-1-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]-N,2-dimethylpropanamide (PubChem CID 42236999) has the molecular formula C26H36N2O3 and a molecular weight of 424.59 g/mol. Its IUPAC name is N-[(1R)-1-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(1R)-1-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]-N,2-dimethylpropanamide
PubChem CID42236999
Molecular FormulaC26H36N2O3
Molecular Weight424.59 g/mol
Exact Mass424.27
IUPAC NameN-[(1R)-1-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]-N,2-dimethylpropanamide
SMILESCOc1ccc(O)c(CN2CCC([C@@H](Cc3ccccc3)N(C)C(=O)C(C)C)CC2)c1
InChIInChI=1S/C26H36N2O3/c1-19(2)26(30)27(3)24(16-20-8-6-5-7-9-20)21-12-14-28(15-13-21)18-22-17-23(31-4)10-11-25(22)29/h5-11,17,19,21,24,29H,12-16,18H2,1-4H3/t24-/m1/s1
InChIKeyCYOSHUDXGPHTFL-XMMPIXPASA-N
XLogP4.34
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-N-[(1R)-1-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide
CID 42368696
2-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-4-methoxyphenol
CID 55217645
N-[(1S)-1-[1-[(5-chloro-2-hydroxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]-N,1-dimethylpyrazole-3-carboxamide
CID 26278045
2-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]oxyacetic acid
CID 65065719
N-[[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 103917998
4-methoxy-2-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenol
CID 82981208
N-[(1R)-1-[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 42378840
2-[4-[(2-hydroxy-5-methoxyphenyl)methyl]-1,4-diazepan-1-yl]acetic acid
CID 65061405
2-[(3-ethylpyrrolidin-1-yl)methyl]-4-methoxyphenol
CID 113351697
N-ethyl-N-[1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]oxane-4-carboxamide
CID 118753986
4-methoxy-2-[(4-propylpiperazin-1-yl)methyl]phenol
CID 82975290
2-[(4-benzylpiperazin-1-yl)methyl]-5-methoxyphenol
CID 783532

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]-N,2-dimethylpropanamide?
The IUPAC name of N-[(1R)-1-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]-N,2-dimethylpropanamide (CID 42236999) is N-[(1R)-1-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]-N,2-dimethylpropanamide.
What is the SMILES notation for N-[(1R)-1-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]-N,2-dimethylpropanamide?
The canonical SMILES for N-[(1R)-1-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]-N,2-dimethylpropanamide is COc1ccc(O)c(CN2CCC([C@@H](Cc3ccccc3)N(C)C(=O)C(C)C)CC2)c1.
What is the InChIKey of N-[(1R)-1-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]-N,2-dimethylpropanamide?
The InChIKey is CYOSHUDXGPHTFL-XMMPIXPASA-N. The full InChI is InChI=1S/C26H36N2O3/c1-19(2)26(30)27(3)24(16-20-8-6-5-7-9-20)21-12-14-28(15-13-21)18-22-17-23(31-4)10-11-25(22)29/h5-11,17,19,21,24,29H,12-16,18H2,1-4H3/t24-/m1/s1.
What are the key properties of N-[(1R)-1-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]-N,2-dimethylpropanamide?
N-[(1R)-1-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]-N,2-dimethylpropanamide has a molecular weight of 424.59 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 42236999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).