4-methoxy-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide

C24H30N2O4 — CID 108548928

IUPAC4-methoxy-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
SMILESCOc1ccc(C(=O)NC2CCN(C(=O)CCCOc3ccccc3C)CC2)cc1
InChIInChI=1S/C24H30N2O4/c1-18-6-3-4-7-22(18)30-17-5-8-23(27)26-15-13-20(14-16-26)25-24(28)19-9-11-21(29-2)12-10-19/h3-4,6-7,9-12,20H,5,8,13-17H2,1-2H3,(H,25,28)
InChIKeyXOULHRMYZWYVRE-UHFFFAOYSA-N
MW410.51 g/mol
LogP3.58
Rot. Bonds8

About 4-methoxy-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide

4-methoxy-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide (PubChem CID 108548928) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is 4-methoxy-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
PubChem CID108548928
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name4-methoxy-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
SMILESCOc1ccc(C(=O)NC2CCN(C(=O)CCCOc3ccccc3C)CC2)cc1
InChIInChI=1S/C24H30N2O4/c1-18-6-3-4-7-22(18)30-17-5-8-23(27)26-15-13-20(14-16-26)25-24(28)19-9-11-21(29-2)12-10-19/h3-4,6-7,9-12,20H,5,8,13-17H2,1-2H3,(H,25,28)
InChIKeyXOULHRMYZWYVRE-UHFFFAOYSA-N
XLogP3.58
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
2-fluoro-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108549364
N-[1-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 46491795
2,5-dichloro-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108554600
3,5-dimethoxy-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108550599
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-4-propan-2-ylbenzamide
CID 108565468
4-methoxy-N-[1-(2-phenylacetyl)piperidin-4-yl]benzamide
CID 108548897
4-(2-methylphenoxy)-N-[1-(2-phenoxyacetyl)piperidin-4-yl]butanamide
CID 108553764
N-(1-acetylpiperidin-4-yl)-4-(2-methylphenoxy)butanamide
CID 108561273
4-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 108549132
3-methoxy-N-(1-pentanoylpiperidin-4-yl)benzamide
CID 110819514
3-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108555362

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide?
The IUPAC name of 4-methoxy-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide (CID 108548928) is 4-methoxy-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide is COc1ccc(C(=O)NC2CCN(C(=O)CCCOc3ccccc3C)CC2)cc1.
What is the InChIKey of 4-methoxy-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide?
The InChIKey is XOULHRMYZWYVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-18-6-3-4-7-22(18)30-17-5-8-23(27)26-15-13-20(14-16-26)25-24(28)19-9-11-21(29-2)12-10-19/h3-4,6-7,9-12,20H,5,8,13-17H2,1-2H3,(H,25,28).
What are the key properties of 4-methoxy-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide?
4-methoxy-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide has a molecular weight of 410.51 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 108548928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).