4-butoxy-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methoxybenzamide

C25H34N2O4 — CID 56552080

IUPAC4-butoxy-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methoxybenzamide
SMILESCCCCOc1ccc(C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)cc1OC
InChIInChI=1S/C25H34N2O4/c1-3-4-15-31-23-10-9-21(16-24(23)30-2)25(29)26-17-19-5-7-20(8-6-19)18-27-13-11-22(28)12-14-27/h5-10,16,22,28H,3-4,11-15,17-18H2,1-2H3,(H,26,29)
InChIKeyZOCNWLHMGYUOMU-UHFFFAOYSA-N
MW426.56 g/mol
LogP3.76
Rot. Bonds10

About 4-butoxy-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methoxybenzamide

4-butoxy-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methoxybenzamide (PubChem CID 56552080) has the molecular formula C25H34N2O4 and a molecular weight of 426.56 g/mol. Its IUPAC name is 4-butoxy-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-butoxy-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methoxybenzamide
PubChem CID56552080
Molecular FormulaC25H34N2O4
Molecular Weight426.56 g/mol
Exact Mass426.25
IUPAC Name4-butoxy-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methoxybenzamide
SMILESCCCCOc1ccc(C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)cc1OC
InChIInChI=1S/C25H34N2O4/c1-3-4-15-31-23-10-9-21(16-24(23)30-2)25(29)26-17-19-5-7-20(8-6-19)18-27-13-11-22(28)12-14-27/h5-10,16,22,28H,3-4,11-15,17-18H2,1-2H3,(H,26,29)
InChIKeyZOCNWLHMGYUOMU-UHFFFAOYSA-N
XLogP3.76
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methoxy-4-propan-2-yloxybenzamide
CID 56552055
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 56551947
4-butoxy-N-[[4-(dimethylamino)phenyl]methyl]-3-methoxybenzamide
CID 9303955
3-methoxy-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 55774774
4-butoxy-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-methoxybenzamide
CID 55812224
1-[(4-heptoxy-3-methoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 54848223
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 56555119
4-butoxy-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxybenzamide
CID 51153166
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-ethoxy-3-methoxybenzamide
CID 8590242
N-[(4-ethoxyphenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 53283400
4-hexoxy-N-[(3-methoxy-4-propoxyphenyl)methyl]benzamide
CID 54776997
N-[(3-methoxy-4-propoxyphenyl)methyl]-4-propoxybenzamide
CID 54777018

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methoxybenzamide?
The IUPAC name of 4-butoxy-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methoxybenzamide (CID 56552080) is 4-butoxy-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methoxybenzamide.
What is the SMILES notation for 4-butoxy-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methoxybenzamide?
The canonical SMILES for 4-butoxy-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methoxybenzamide is CCCCOc1ccc(C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)cc1OC.
What is the InChIKey of 4-butoxy-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methoxybenzamide?
The InChIKey is ZOCNWLHMGYUOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O4/c1-3-4-15-31-23-10-9-21(16-24(23)30-2)25(29)26-17-19-5-7-20(8-6-19)18-27-13-11-22(28)12-14-27/h5-10,16,22,28H,3-4,11-15,17-18H2,1-2H3,(H,26,29).
What are the key properties of 4-butoxy-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methoxybenzamide?
4-butoxy-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methoxybenzamide has a molecular weight of 426.56 g/mol, XLogP of 3.76, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methoxybenzamide is sourced from PubChem (CID 56552080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).