methyl 1-[2-(4-tert-butylanilino)-2-oxoethyl]piperidine-4-carboxylate

C19H28N2O3 — CID 8742171

IUPACmethyl 1-[2-(4-tert-butylanilino)-2-oxoethyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CC(=O)Nc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C19H28N2O3/c1-19(2,3)15-5-7-16(8-6-15)20-17(22)13-21-11-9-14(10-12-21)18(23)24-4/h5-8,14H,9-13H2,1-4H3,(H,20,22)
InChIKeyJRNZTKIRTSRGCD-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.81
Rot. Bonds4

About methyl 1-[2-(4-tert-butylanilino)-2-oxoethyl]piperidine-4-carboxylate

methyl 1-[2-(4-tert-butylanilino)-2-oxoethyl]piperidine-4-carboxylate (PubChem CID 8742171) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is methyl 1-[2-(4-tert-butylanilino)-2-oxoethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(4-tert-butylanilino)-2-oxoethyl]piperidine-4-carboxylate
PubChem CID8742171
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Namemethyl 1-[2-(4-tert-butylanilino)-2-oxoethyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CC(=O)Nc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C19H28N2O3/c1-19(2,3)15-5-7-16(8-6-15)20-17(22)13-21-11-9-14(10-12-21)18(23)24-4/h5-8,14H,9-13H2,1-4H3,(H,20,22)
InChIKeyJRNZTKIRTSRGCD-UHFFFAOYSA-N
XLogP2.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-tert-butylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119906651
methyl 1-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]piperidine-4-carboxylate
CID 8591015
methyl 1-[2-oxo-2-(4-propoxycarbonylanilino)ethyl]piperidine-4-carboxylate
CID 8741640
methyl 1-[2-(4-bromoanilino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 47286802
methyl 1-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 8742544
methyl 1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 8742206
methyl 1-[2-(4-tert-butylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate
CID 8742170
1-[2-(4-tert-butylanilino)-2-oxoethyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 55852879
N-(4-tert-butylphenyl)-2-(4-oxopiperidin-1-yl)acetamide
CID 82342704
ethyl 1-[2-[4-(butanoylamino)anilino]-2-oxoethyl]piperidine-4-carboxylate
CID 54837939
ethyl 1-[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxylate
CID 54840557
methyl 1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 8742254

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(4-tert-butylanilino)-2-oxoethyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-(4-tert-butylanilino)-2-oxoethyl]piperidine-4-carboxylate (CID 8742171) is methyl 1-[2-(4-tert-butylanilino)-2-oxoethyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-(4-tert-butylanilino)-2-oxoethyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-(4-tert-butylanilino)-2-oxoethyl]piperidine-4-carboxylate is COC(=O)C1CCN(CC(=O)Nc2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of methyl 1-[2-(4-tert-butylanilino)-2-oxoethyl]piperidine-4-carboxylate?
The InChIKey is JRNZTKIRTSRGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-19(2,3)15-5-7-16(8-6-15)20-17(22)13-21-11-9-14(10-12-21)18(23)24-4/h5-8,14H,9-13H2,1-4H3,(H,20,22).
What are the key properties of methyl 1-[2-(4-tert-butylanilino)-2-oxoethyl]piperidine-4-carboxylate?
methyl 1-[2-(4-tert-butylanilino)-2-oxoethyl]piperidine-4-carboxylate has a molecular weight of 332.44 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(4-tert-butylanilino)-2-oxoethyl]piperidine-4-carboxylate is sourced from PubChem (CID 8742171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).