butyl 4-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]benzoate

C26H32N2O5 — CID 55884295

IUPACbutyl 4-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)C2CCN(C(=O)CCOc3ccccc3)CC2)cc1
InChIInChI=1S/C26H32N2O5/c1-2-3-18-33-26(31)21-9-11-22(12-10-21)27-25(30)20-13-16-28(17-14-20)24(29)15-19-32-23-7-5-4-6-8-23/h4-12,20H,2-3,13-19H2,1H3,(H,27,30)
InChIKeyAUYIGXHCPAWSLM-UHFFFAOYSA-N
MW452.55 g/mol
LogP4.29
Rot. Bonds10

About butyl 4-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]benzoate

butyl 4-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]benzoate (PubChem CID 55884295) has the molecular formula C26H32N2O5 and a molecular weight of 452.55 g/mol. Its IUPAC name is butyl 4-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Namebutyl 4-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]benzoate
PubChem CID55884295
Molecular FormulaC26H32N2O5
Molecular Weight452.55 g/mol
Exact Mass452.23
IUPAC Namebutyl 4-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)C2CCN(C(=O)CCOc3ccccc3)CC2)cc1
InChIInChI=1S/C26H32N2O5/c1-2-3-18-33-26(31)21-9-11-22(12-10-21)27-25(30)20-13-16-28(17-14-20)24(29)15-19-32-23-7-5-4-6-8-23/h4-12,20H,2-3,13-19H2,1H3,(H,27,30)
InChIKeyAUYIGXHCPAWSLM-UHFFFAOYSA-N
XLogP4.29
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.55
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze butyl 4-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]benzoate with MolForge

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Related Compounds

N-(4-ethoxyphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854197
N-(4-acetamidophenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854580
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55886034
butyl 4-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]benzoate
CID 31776506
N-[3-(cyclopropanecarbonylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55885887
1-pentanoyl-N-phenylpiperidine-4-carboxamide
CID 17491790
N-phenyl-1-[2-(4-propoxyphenoxy)acetyl]piperidine-4-carboxamide
CID 41499383
butyl 4-[(1-methylsulfonylpiperidine-4-carbonyl)amino]benzoate
CID 45372259
1-acetyl-N-(4-hexoxyphenyl)piperidine-4-carboxamide
CID 108792203
propyl 4-[[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]amino]benzoate
CID 26199089
2-butoxyethyl 4-(cyclopropanecarbonylamino)benzoate
CID 52709382
N-[(2S)-3-methylbutan-2-yl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 94521670

Frequently Asked Questions

What is the IUPAC name of butyl 4-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]benzoate?
The IUPAC name of butyl 4-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]benzoate (CID 55884295) is butyl 4-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]benzoate.
What is the SMILES notation for butyl 4-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]benzoate?
The canonical SMILES for butyl 4-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]benzoate is CCCCOC(=O)c1ccc(NC(=O)C2CCN(C(=O)CCOc3ccccc3)CC2)cc1.
What is the InChIKey of butyl 4-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]benzoate?
The InChIKey is AUYIGXHCPAWSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O5/c1-2-3-18-33-26(31)21-9-11-22(12-10-21)27-25(30)20-13-16-28(17-14-20)24(29)15-19-32-23-7-5-4-6-8-23/h4-12,20H,2-3,13-19H2,1H3,(H,27,30).
What are the key properties of butyl 4-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]benzoate?
butyl 4-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]benzoate has a molecular weight of 452.55 g/mol, XLogP of 4.29, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]benzoate is sourced from PubChem (CID 55884295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).