N-[1-(3-methoxypropanoyl)piperidin-4-yl]-4-phenoxybutanamide

C19H28N2O4 — CID 108553641

IUPACN-[1-(3-methoxypropanoyl)piperidin-4-yl]-4-phenoxybutanamide
SMILESCOCCC(=O)N1CCC(NC(=O)CCCOc2ccccc2)CC1
InChIInChI=1S/C19H28N2O4/c1-24-15-11-19(23)21-12-9-16(10-13-21)20-18(22)8-5-14-25-17-6-3-2-4-7-17/h2-4,6-7,16H,5,8-15H2,1H3,(H,20,22)
InChIKeyZAANOZCQICAVGQ-UHFFFAOYSA-N
MW348.44 g/mol
LogP1.99
Rot. Bonds9

About N-[1-(3-methoxypropanoyl)piperidin-4-yl]-4-phenoxybutanamide

N-[1-(3-methoxypropanoyl)piperidin-4-yl]-4-phenoxybutanamide (PubChem CID 108553641) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is N-[1-(3-methoxypropanoyl)piperidin-4-yl]-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[1-(3-methoxypropanoyl)piperidin-4-yl]-4-phenoxybutanamide
PubChem CID108553641
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC NameN-[1-(3-methoxypropanoyl)piperidin-4-yl]-4-phenoxybutanamide
SMILESCOCCC(=O)N1CCC(NC(=O)CCCOc2ccccc2)CC1
InChIInChI=1S/C19H28N2O4/c1-24-15-11-19(23)21-12-9-16(10-13-21)20-18(22)8-5-14-25-17-6-3-2-4-7-17/h2-4,6-7,16H,5,8-15H2,1H3,(H,20,22)
InChIKeyZAANOZCQICAVGQ-UHFFFAOYSA-N
XLogP1.99
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[1-(3-methoxypropanoyl)piperidin-4-yl]-4-phenoxybutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-methylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide
CID 108553445
N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide
CID 110820896
N-[1-(4-phenoxybutanoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551285
2-phenoxy-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
CID 108555833
4-phenoxy-N-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]butanamide
CID 108561185
4-(4-phenoxybutanoylamino)-N-phenylpiperidine-1-carboxamide
CID 51324376
prop-2-enyl 4-(4-phenoxybutanoylamino)piperidine-1-carboxylate
CID 108561202
3-methoxy-1-[4-(2-phenoxyethyl)piperidin-1-yl]propan-1-one
CID 53150681
N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-4-phenoxybutanamide
CID 108553602
4-(2-methylphenoxy)-N-[1-(2-phenoxyacetyl)piperidin-4-yl]butanamide
CID 108553764
2-cyano-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
CID 108548392
2-methoxy-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 108549234

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxypropanoyl)piperidin-4-yl]-4-phenoxybutanamide?
The IUPAC name of N-[1-(3-methoxypropanoyl)piperidin-4-yl]-4-phenoxybutanamide (CID 108553641) is N-[1-(3-methoxypropanoyl)piperidin-4-yl]-4-phenoxybutanamide.
What is the SMILES notation for N-[1-(3-methoxypropanoyl)piperidin-4-yl]-4-phenoxybutanamide?
The canonical SMILES for N-[1-(3-methoxypropanoyl)piperidin-4-yl]-4-phenoxybutanamide is COCCC(=O)N1CCC(NC(=O)CCCOc2ccccc2)CC1.
What is the InChIKey of N-[1-(3-methoxypropanoyl)piperidin-4-yl]-4-phenoxybutanamide?
The InChIKey is ZAANOZCQICAVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-24-15-11-19(23)21-12-9-16(10-13-21)20-18(22)8-5-14-25-17-6-3-2-4-7-17/h2-4,6-7,16H,5,8-15H2,1H3,(H,20,22).
What are the key properties of N-[1-(3-methoxypropanoyl)piperidin-4-yl]-4-phenoxybutanamide?
N-[1-(3-methoxypropanoyl)piperidin-4-yl]-4-phenoxybutanamide has a molecular weight of 348.44 g/mol, XLogP of 1.99, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxypropanoyl)piperidin-4-yl]-4-phenoxybutanamide is sourced from PubChem (CID 108553641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).