butyl 1-(2-methoxybenzoyl)piperidine-4-carboxylate

C18H25NO4 — CID 91715326

IUPACbutyl 1-(2-methoxybenzoyl)piperidine-4-carboxylate
SMILESCCCCOC(=O)C1CCN(C(=O)c2ccccc2OC)CC1
InChIInChI=1S/C18H25NO4/c1-3-4-13-23-18(21)14-9-11-19(12-10-14)17(20)15-7-5-6-8-16(15)22-2/h5-8,14H,3-4,9-13H2,1-2H3
InChIKeyVAPNRALXULTCLO-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.89
Rot. Bonds6

About butyl 1-(2-methoxybenzoyl)piperidine-4-carboxylate

butyl 1-(2-methoxybenzoyl)piperidine-4-carboxylate (PubChem CID 91715326) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is butyl 1-(2-methoxybenzoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namebutyl 1-(2-methoxybenzoyl)piperidine-4-carboxylate
PubChem CID91715326
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Namebutyl 1-(2-methoxybenzoyl)piperidine-4-carboxylate
SMILESCCCCOC(=O)C1CCN(C(=O)c2ccccc2OC)CC1
InChIInChI=1S/C18H25NO4/c1-3-4-13-23-18(21)14-9-11-19(12-10-14)17(20)15-7-5-6-8-16(15)22-2/h5-8,14H,3-4,9-13H2,1-2H3
InChIKeyVAPNRALXULTCLO-UHFFFAOYSA-N
XLogP2.89
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tetradecyl 1-(2-methoxybenzoyl)piperidine-4-carboxylate
CID 91742565
hexyl 1-(2-chlorobenzoyl)piperidine-4-carboxylate
CID 91734475
ethyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate
CID 59322202
1-(2-butoxybenzoyl)piperidine-4-carboxylic acid
CID 54793753
butyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
CID 91717484
butyl 1-(2,5-difluorobenzoyl)piperidine-4-carboxylate
CID 91717479
decyl 1-[2-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
CID 91726527
[2-(2-methoxyphenyl)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate
CID 7739829
nonyl 1-benzoylpiperidine-4-carboxylate
CID 91738796
butyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 91711955
tetradecyl 1-(2-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 91715353
(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 5149560

Frequently Asked Questions

What is the IUPAC name of butyl 1-(2-methoxybenzoyl)piperidine-4-carboxylate?
The IUPAC name of butyl 1-(2-methoxybenzoyl)piperidine-4-carboxylate (CID 91715326) is butyl 1-(2-methoxybenzoyl)piperidine-4-carboxylate.
What is the SMILES notation for butyl 1-(2-methoxybenzoyl)piperidine-4-carboxylate?
The canonical SMILES for butyl 1-(2-methoxybenzoyl)piperidine-4-carboxylate is CCCCOC(=O)C1CCN(C(=O)c2ccccc2OC)CC1.
What is the InChIKey of butyl 1-(2-methoxybenzoyl)piperidine-4-carboxylate?
The InChIKey is VAPNRALXULTCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-3-4-13-23-18(21)14-9-11-19(12-10-14)17(20)15-7-5-6-8-16(15)22-2/h5-8,14H,3-4,9-13H2,1-2H3.
What are the key properties of butyl 1-(2-methoxybenzoyl)piperidine-4-carboxylate?
butyl 1-(2-methoxybenzoyl)piperidine-4-carboxylate has a molecular weight of 319.40 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 1-(2-methoxybenzoyl)piperidine-4-carboxylate is sourced from PubChem (CID 91715326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).