butyl 4-[(4-phenylbenzoyl)amino]piperidine-1-carboxylate

C23H28N2O3 — CID 108559396

IUPACbutyl 4-[(4-phenylbenzoyl)amino]piperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(NC(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C23H28N2O3/c1-2-3-17-28-23(27)25-15-13-21(14-16-25)24-22(26)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-12,21H,2-3,13-17H2,1H3,(H,24,26)
InChIKeySFTMCKUKXOQTES-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.48
Rot. Bonds6

About butyl 4-[(4-phenylbenzoyl)amino]piperidine-1-carboxylate

butyl 4-[(4-phenylbenzoyl)amino]piperidine-1-carboxylate (PubChem CID 108559396) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is butyl 4-[(4-phenylbenzoyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Namebutyl 4-[(4-phenylbenzoyl)amino]piperidine-1-carboxylate
PubChem CID108559396
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Namebutyl 4-[(4-phenylbenzoyl)amino]piperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(NC(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C23H28N2O3/c1-2-3-17-28-23(27)25-15-13-21(14-16-25)24-22(26)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-12,21H,2-3,13-17H2,1H3,(H,24,26)
InChIKeySFTMCKUKXOQTES-UHFFFAOYSA-N
XLogP4.48
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butyl 4-(pyridine-4-carbonylamino)piperidine-1-carboxylate
CID 108562444
2-methylpropyl 4-[(4-phenylbenzoyl)amino]piperidine-1-carboxylate
CID 108559390
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
butyl 4-[(3,4-dimethoxybenzoyl)amino]piperidine-1-carboxylate
CID 108559158
butyl 4-[(2-fluorobenzoyl)amino]piperidine-1-carboxylate
CID 108559345
butyl 4-[(3-methoxybenzoyl)amino]piperidine-1-carboxylate
CID 108559738
butyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate
CID 108562788
4-ethoxy-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108551846
butyl 4-(3H-benzimidazole-5-carbonylamino)piperidine-1-carboxylate
CID 108561542
butyl 4-[(3,4,5-trimethoxybenzoyl)amino]piperidine-1-carboxylate
CID 108559323
ethyl 4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxylate
CID 31542192

Frequently Asked Questions

What is the IUPAC name of butyl 4-[(4-phenylbenzoyl)amino]piperidine-1-carboxylate?
The IUPAC name of butyl 4-[(4-phenylbenzoyl)amino]piperidine-1-carboxylate (CID 108559396) is butyl 4-[(4-phenylbenzoyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for butyl 4-[(4-phenylbenzoyl)amino]piperidine-1-carboxylate?
The canonical SMILES for butyl 4-[(4-phenylbenzoyl)amino]piperidine-1-carboxylate is CCCCOC(=O)N1CCC(NC(=O)c2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of butyl 4-[(4-phenylbenzoyl)amino]piperidine-1-carboxylate?
The InChIKey is SFTMCKUKXOQTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-2-3-17-28-23(27)25-15-13-21(14-16-25)24-22(26)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-12,21H,2-3,13-17H2,1H3,(H,24,26).
What are the key properties of butyl 4-[(4-phenylbenzoyl)amino]piperidine-1-carboxylate?
butyl 4-[(4-phenylbenzoyl)amino]piperidine-1-carboxylate has a molecular weight of 380.49 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-[(4-phenylbenzoyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 108559396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).