3,5-dimethoxy-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide

C25H32N2O5 — CID 108550599

IUPAC3,5-dimethoxy-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NC2CCN(C(=O)CCCOc3ccc(C)cc3)CC2)c1
InChIInChI=1S/C25H32N2O5/c1-18-6-8-21(9-7-18)32-14-4-5-24(28)27-12-10-20(11-13-27)26-25(29)19-15-22(30-2)17-23(16-19)31-3/h6-9,15-17,20H,4-5,10-14H2,1-3H3,(H,26,29)
InChIKeyRTZGGJBZXQVJBU-UHFFFAOYSA-N
MW440.54 g/mol
LogP3.59
Rot. Bonds9

About 3,5-dimethoxy-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide

3,5-dimethoxy-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide (PubChem CID 108550599) has the molecular formula C25H32N2O5 and a molecular weight of 440.54 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
PubChem CID108550599
Molecular FormulaC25H32N2O5
Molecular Weight440.54 g/mol
Exact Mass440.23
IUPAC Name3,5-dimethoxy-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NC2CCN(C(=O)CCCOc3ccc(C)cc3)CC2)c1
InChIInChI=1S/C25H32N2O5/c1-18-6-8-21(9-7-18)32-14-4-5-24(28)27-12-10-20(11-13-27)26-25(29)19-15-22(30-2)17-23(16-19)31-3/h6-9,15-17,20H,4-5,10-14H2,1-3H3,(H,26,29)
InChIKeyRTZGGJBZXQVJBU-UHFFFAOYSA-N
XLogP3.59
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108548924
3-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108555362
2-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]propanamide
CID 108558499
2-chloro-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]propanamide
CID 108565343
4-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 108549132
N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]pyridine-2-carboxamide
CID 108557848
3,4,5-trimethoxy-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108549305
4-methoxy-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108548928
3-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]butanamide
CID 108549552
4-(4-methoxyphenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride
CID 119559826
3-methoxy-N-(1-pentanoylpiperidin-4-yl)benzamide
CID 110819514
methyl 4-[4-(4-methylphenoxy)butanoylamino]piperidine-1-carboxylate
CID 108561101

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide (CID 108550599) is 3,5-dimethoxy-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide is COc1cc(OC)cc(C(=O)NC2CCN(C(=O)CCCOc3ccc(C)cc3)CC2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide?
The InChIKey is RTZGGJBZXQVJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O5/c1-18-6-8-21(9-7-18)32-14-4-5-24(28)27-12-10-20(11-13-27)26-25(29)19-15-22(30-2)17-23(16-19)31-3/h6-9,15-17,20H,4-5,10-14H2,1-3H3,(H,26,29).
What are the key properties of 3,5-dimethoxy-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide?
3,5-dimethoxy-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide has a molecular weight of 440.54 g/mol, XLogP of 3.59, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 108550599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).