butyl 4-[[2-(4-propylphenoxy)acetyl]amino]piperidine-1-carboxylate

C21H32N2O4 — CID 108560933

IUPACbutyl 4-[[2-(4-propylphenoxy)acetyl]amino]piperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(NC(=O)COc2ccc(CCC)cc2)CC1
InChIInChI=1S/C21H32N2O4/c1-3-5-15-26-21(25)23-13-11-18(12-14-23)22-20(24)16-27-19-9-7-17(6-4-2)8-10-19/h7-10,18H,3-6,11-16H2,1-2H3,(H,22,24)
InChIKeyZDUXBZZPRUURDS-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.54
Rot. Bonds9

About butyl 4-[[2-(4-propylphenoxy)acetyl]amino]piperidine-1-carboxylate

butyl 4-[[2-(4-propylphenoxy)acetyl]amino]piperidine-1-carboxylate (PubChem CID 108560933) has the molecular formula C21H32N2O4 and a molecular weight of 376.50 g/mol. Its IUPAC name is butyl 4-[[2-(4-propylphenoxy)acetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Namebutyl 4-[[2-(4-propylphenoxy)acetyl]amino]piperidine-1-carboxylate
PubChem CID108560933
Molecular FormulaC21H32N2O4
Molecular Weight376.50 g/mol
Exact Mass376.24
IUPAC Namebutyl 4-[[2-(4-propylphenoxy)acetyl]amino]piperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(NC(=O)COc2ccc(CCC)cc2)CC1
InChIInChI=1S/C21H32N2O4/c1-3-5-15-26-21(25)23-13-11-18(12-14-23)22-20(24)16-27-19-9-7-17(6-4-2)8-10-19/h7-10,18H,3-6,11-16H2,1-2H3,(H,22,24)
InChIKeyZDUXBZZPRUURDS-UHFFFAOYSA-N
XLogP3.54
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.54
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

butyl 4-[[2-(4-chlorophenoxy)acetyl]amino]piperidine-1-carboxylate
CID 108561476
N-[1-(3-phenylpropanoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide
CID 108553098
N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide
CID 108553085
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide
CID 108553068
2-(4-propylphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide
CID 108553127
ethyl 4-[[2-(4-butoxybenzoyl)oxyacetyl]amino]piperidine-1-carboxylate
CID 34321831
4-oxo-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pentanamide
CID 108558056
2-(2-methoxyphenoxy)-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108556685
2-(2-ethylphenoxy)-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108557069
ethyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 32964517
ethyl 4-[[2-(4-phenylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 4009402
methyl N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]carbamate
CID 108565166

Frequently Asked Questions

What is the IUPAC name of butyl 4-[[2-(4-propylphenoxy)acetyl]amino]piperidine-1-carboxylate?
The IUPAC name of butyl 4-[[2-(4-propylphenoxy)acetyl]amino]piperidine-1-carboxylate (CID 108560933) is butyl 4-[[2-(4-propylphenoxy)acetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for butyl 4-[[2-(4-propylphenoxy)acetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for butyl 4-[[2-(4-propylphenoxy)acetyl]amino]piperidine-1-carboxylate is CCCCOC(=O)N1CCC(NC(=O)COc2ccc(CCC)cc2)CC1.
What is the InChIKey of butyl 4-[[2-(4-propylphenoxy)acetyl]amino]piperidine-1-carboxylate?
The InChIKey is ZDUXBZZPRUURDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O4/c1-3-5-15-26-21(25)23-13-11-18(12-14-23)22-20(24)16-27-19-9-7-17(6-4-2)8-10-19/h7-10,18H,3-6,11-16H2,1-2H3,(H,22,24).
What are the key properties of butyl 4-[[2-(4-propylphenoxy)acetyl]amino]piperidine-1-carboxylate?
butyl 4-[[2-(4-propylphenoxy)acetyl]amino]piperidine-1-carboxylate has a molecular weight of 376.50 g/mol, XLogP of 3.54, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-[[2-(4-propylphenoxy)acetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 108560933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).