4-(4-methylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide

C25H32N2O4 — CID 108553445

IUPAC4-(4-methylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide
SMILESCc1ccc(OCCCC(=O)NC2CCN(C(=O)CCOc3ccccc3)CC2)cc1
InChIInChI=1S/C25H32N2O4/c1-20-9-11-23(12-10-20)30-18-5-8-24(28)26-21-13-16-27(17-14-21)25(29)15-19-31-22-6-3-2-4-7-22/h2-4,6-7,9-12,21H,5,8,13-19H2,1H3,(H,26,28)
InChIKeyVVHFDQQBJBNBBJ-UHFFFAOYSA-N
MW424.54 g/mol
LogP3.73
Rot. Bonds10

About 4-(4-methylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide

4-(4-methylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide (PubChem CID 108553445) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is 4-(4-methylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide.

Molecular Properties

Compound Name4-(4-methylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide
PubChem CID108553445
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC Name4-(4-methylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide
SMILESCc1ccc(OCCCC(=O)NC2CCN(C(=O)CCOc3ccccc3)CC2)cc1
InChIInChI=1S/C25H32N2O4/c1-20-9-11-23(12-10-20)30-18-5-8-24(28)26-21-13-16-27(17-14-21)25(29)15-19-31-22-6-3-2-4-7-22/h2-4,6-7,9-12,21H,5,8,13-19H2,1H3,(H,26,28)
InChIKeyVVHFDQQBJBNBBJ-UHFFFAOYSA-N
XLogP3.73
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 53.73
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

N-[1-(3-methoxypropanoyl)piperidin-4-yl]-4-phenoxybutanamide
CID 108553641
N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide
CID 110820896
4-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 108549132
methyl 4-[4-(4-methylphenoxy)butanoylamino]piperidine-1-carboxylate
CID 108561101
N-[1-(3-methylbutanoyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide
CID 49493081
N,N-dimethyl-4-[4-(4-methylphenoxy)butanoylamino]piperidine-1-carboxamide
CID 108561105
2-phenoxy-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
CID 108555833
N-[1-(4-phenoxybutanoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551285
3-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]butanamide
CID 108549552
2-(3,4-dimethylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
CID 108553005
2-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]propanamide
CID 108558499
ethyl 4-(3-phenoxypropanoylamino)piperidine-1-carboxylate
CID 31542229

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide?
The IUPAC name of 4-(4-methylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide (CID 108553445) is 4-(4-methylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide.
What is the SMILES notation for 4-(4-methylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide?
The canonical SMILES for 4-(4-methylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide is Cc1ccc(OCCCC(=O)NC2CCN(C(=O)CCOc3ccccc3)CC2)cc1.
What is the InChIKey of 4-(4-methylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide?
The InChIKey is VVHFDQQBJBNBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O4/c1-20-9-11-23(12-10-20)30-18-5-8-24(28)26-21-13-16-27(17-14-21)25(29)15-19-31-22-6-3-2-4-7-22/h2-4,6-7,9-12,21H,5,8,13-19H2,1H3,(H,26,28).
What are the key properties of 4-(4-methylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide?
4-(4-methylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide has a molecular weight of 424.54 g/mol, XLogP of 3.73, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide is sourced from PubChem (CID 108553445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).