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

C18H25ClN2O4 — CID 108561476

IUPACbutyl 4-[[2-(4-chlorophenoxy)acetyl]amino]piperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(NC(=O)COc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H25ClN2O4/c1-2-3-12-24-18(23)21-10-8-15(9-11-21)20-17(22)13-25-16-6-4-14(19)5-7-16/h4-7,15H,2-3,8-13H2,1H3,(H,20,22)
InChIKeyYLDMVRAZKFMKKI-UHFFFAOYSA-N
MW368.86 g/mol
LogP3.24
Rot. Bonds7

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

butyl 4-[[2-(4-chlorophenoxy)acetyl]amino]piperidine-1-carboxylate (PubChem CID 108561476) has the molecular formula C18H25ClN2O4 and a molecular weight of 368.86 g/mol. Its IUPAC name is butyl 4-[[2-(4-chlorophenoxy)acetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Namebutyl 4-[[2-(4-chlorophenoxy)acetyl]amino]piperidine-1-carboxylate
PubChem CID108561476
Molecular FormulaC18H25ClN2O4
Molecular Weight368.86 g/mol
Exact Mass368.15
IUPAC Namebutyl 4-[[2-(4-chlorophenoxy)acetyl]amino]piperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(NC(=O)COc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H25ClN2O4/c1-2-3-12-24-18(23)21-10-8-15(9-11-21)20-17(22)13-25-16-6-4-14(19)5-7-16/h4-7,15H,2-3,8-13H2,1H3,(H,20,22)
InChIKeyYLDMVRAZKFMKKI-UHFFFAOYSA-N
XLogP3.24
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 53.24
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-propylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 108560933
4-[[2-(4-chlorophenoxy)acetyl]amino]piperidine-1-carboxylic acid
CID 68885629
2-(4-chlorophenoxy)-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]acetamide
CID 46467019
2-(4-chlorophenoxy)-N-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide
CID 32542579
ethyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 32964517
2-(4-chlorophenoxy)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide
CID 108561456
ethyl 4-[[2-(4-butoxybenzoyl)oxyacetyl]amino]piperidine-1-carboxylate
CID 34321831
butyl 4-[(2,5-dichlorobenzoyl)amino]piperidine-1-carboxylate
CID 108561579
2-(4-chlorophenoxy)-N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]acetamide
CID 108561465
ethyl 4-[[2-(4-phenylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 4009402
2-(4-chlorophenoxy)-N-cyclooctylacetamide
CID 875180
2-(4-chlorophenoxy)-N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108554325

Frequently Asked Questions

What is the IUPAC name of butyl 4-[[2-(4-chlorophenoxy)acetyl]amino]piperidine-1-carboxylate?
The IUPAC name of butyl 4-[[2-(4-chlorophenoxy)acetyl]amino]piperidine-1-carboxylate (CID 108561476) is butyl 4-[[2-(4-chlorophenoxy)acetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for butyl 4-[[2-(4-chlorophenoxy)acetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for butyl 4-[[2-(4-chlorophenoxy)acetyl]amino]piperidine-1-carboxylate is CCCCOC(=O)N1CCC(NC(=O)COc2ccc(Cl)cc2)CC1.
What is the InChIKey of butyl 4-[[2-(4-chlorophenoxy)acetyl]amino]piperidine-1-carboxylate?
The InChIKey is YLDMVRAZKFMKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O4/c1-2-3-12-24-18(23)21-10-8-15(9-11-21)20-17(22)13-25-16-6-4-14(19)5-7-16/h4-7,15H,2-3,8-13H2,1H3,(H,20,22).
What are the key properties of butyl 4-[[2-(4-chlorophenoxy)acetyl]amino]piperidine-1-carboxylate?
butyl 4-[[2-(4-chlorophenoxy)acetyl]amino]piperidine-1-carboxylate has a molecular weight of 368.86 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-[[2-(4-chlorophenoxy)acetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 108561476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).