N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]propanamide

C25H34N2O5 — CID 26326111

IUPACN-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]propanamide
SMILESCOc1ccc(O)c(CN2CCC[C@@H](CCC(=O)NCc3ccc(OC)cc3OC)C2)c1
InChIInChI=1S/C25H34N2O5/c1-30-21-9-10-23(28)20(13-21)17-27-12-4-5-18(16-27)6-11-25(29)26-15-19-7-8-22(31-2)14-24(19)32-3/h7-10,13-14,18,28H,4-6,11-12,15-17H2,1-3H3,(H,26,29)/t18-/m0/s1
InChIKeyIRXQGEBQBZSAKO-SFHVURJKSA-N
MW442.56 g/mol
LogP3.73
Rot. Bonds10

About N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]propanamide

N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]propanamide (PubChem CID 26326111) has the molecular formula C25H34N2O5 and a molecular weight of 442.56 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]propanamide
PubChem CID26326111
Molecular FormulaC25H34N2O5
Molecular Weight442.56 g/mol
Exact Mass442.25
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]propanamide
SMILESCOc1ccc(O)c(CN2CCC[C@@H](CCC(=O)NCc3ccc(OC)cc3OC)C2)c1
InChIInChI=1S/C25H34N2O5/c1-30-21-9-10-23(28)20(13-21)17-27-12-4-5-18(16-27)6-11-25(29)26-15-19-7-8-22(31-2)14-24(19)32-3/h7-10,13-14,18,28H,4-6,11-12,15-17H2,1-3H3,(H,26,29)/t18-/m0/s1
InChIKeyIRXQGEBQBZSAKO-SFHVURJKSA-N
XLogP3.73
TPSA80.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-3-[1-[(2-hydroxyphenyl)methyl]piperidin-3-yl]propanamide
CID 45211158
3-[(3R)-1-[(5-chloro-2-hydroxyphenyl)methyl]piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide
CID 25299037
N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]propanamide
CID 42343520
N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propanamide
CID 25302311
3-[(3S)-1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide
CID 25280715
N-[(2,4-dimethoxyphenyl)methyl]-3-[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]propanamide
CID 45235401
N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(1H-indol-3-ylmethyl)piperidin-3-yl]propanamide
CID 45218347
N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-3-yl]propanamide
CID 42214664
N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]propanamide
CID 26336124
N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]propanamide
CID 25369685
3-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide
CID 45211190
N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide
CID 42115377

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]propanamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]propanamide (CID 26326111) is N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]propanamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]propanamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]propanamide is COc1ccc(O)c(CN2CCC[C@@H](CCC(=O)NCc3ccc(OC)cc3OC)C2)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]propanamide?
The InChIKey is IRXQGEBQBZSAKO-SFHVURJKSA-N. The full InChI is InChI=1S/C25H34N2O5/c1-30-21-9-10-23(28)20(13-21)17-27-12-4-5-18(16-27)6-11-25(29)26-15-19-7-8-22(31-2)14-24(19)32-3/h7-10,13-14,18,28H,4-6,11-12,15-17H2,1-3H3,(H,26,29)/t18-/m0/s1.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]propanamide?
N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]propanamide has a molecular weight of 442.56 g/mol, XLogP of 3.73, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 26326111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).