1-[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl]piperidine-4-carboxamide

C20H31N3O3 — CID 8557450

IUPAC1-[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl]piperidine-4-carboxamide
SMILESCC(C)(C)c1ccc(OCCNC(=O)CN2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C20H31N3O3/c1-20(2,3)16-4-6-17(7-5-16)26-13-10-22-18(24)14-23-11-8-15(9-12-23)19(21)25/h4-7,15H,8-14H2,1-3H3,(H2,21,25)(H,22,24)
InChIKeyHIQBWXQIEIJXOU-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.68
Rot. Bonds7

About 1-[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl]piperidine-4-carboxamide

1-[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 8557450) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 1-[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl]piperidine-4-carboxamide
PubChem CID8557450
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name1-[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl]piperidine-4-carboxamide
SMILESCC(C)(C)c1ccc(OCCNC(=O)CN2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C20H31N3O3/c1-20(2,3)16-4-6-17(7-5-16)26-13-10-22-18(24)14-23-11-8-15(9-12-23)19(21)25/h4-7,15H,8-14H2,1-3H3,(H2,21,25)(H,22,24)
InChIKeyHIQBWXQIEIJXOU-UHFFFAOYSA-N
XLogP1.68
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(4-tert-butylphenoxy)propyl]piperidine-4-carboxamide
CID 9443262
1-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 119908123
4-(4-tert-butylphenoxy)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]butanamide
CID 39146511
N-[2-(4-tert-butylphenoxy)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 9017558
N-[2-(4-tert-butylphenoxy)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 31336587
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-(4-tert-butylphenoxy)butanamide
CID 24590901
1-[2-oxo-2-(2-phenoxyethylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 63030488
N-[2-(4-tert-butylphenoxy)ethyl]cyclopentanecarboxamide
CID 94868061
[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate
CID 8566829
2-[4-(3,3-dimethylbutyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 60537932
ethyl 4-[2-(4-tert-butylphenoxy)ethylcarbamoylamino]piperidine-1-carboxylate
CID 112972858
1-N-[3-(4-methoxyphenoxy)propyl]piperidine-1,4-dicarboxamide
CID 56798865

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl]piperidine-4-carboxamide (CID 8557450) is 1-[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl]piperidine-4-carboxamide is CC(C)(C)c1ccc(OCCNC(=O)CN2CCC(C(N)=O)CC2)cc1.
What is the InChIKey of 1-[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is HIQBWXQIEIJXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-20(2,3)16-4-6-17(7-5-16)26-13-10-22-18(24)14-23-11-8-15(9-12-23)19(21)25/h4-7,15H,8-14H2,1-3H3,(H2,21,25)(H,22,24).
What are the key properties of 1-[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl]piperidine-4-carboxamide?
1-[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 8557450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).