N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-(4-tert-butylphenoxy)butanamide

C21H33N3O3 — CID 24590901

IUPACN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-(4-tert-butylphenoxy)butanamide
SMILESCC(C)(C)c1ccc(OCCCC(=O)NC2CCN(CC(N)=O)CC2)cc1
InChIInChI=1S/C21H33N3O3/c1-21(2,3)16-6-8-18(9-7-16)27-14-4-5-20(26)23-17-10-12-24(13-11-17)15-19(22)25/h6-9,17H,4-5,10-15H2,1-3H3,(H2,22,25)(H,23,26)
InChIKeyXJJNRXAGJKUWOR-UHFFFAOYSA-N
MW375.51 g/mol
LogP2.21
Rot. Bonds8

About N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-(4-tert-butylphenoxy)butanamide

N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-(4-tert-butylphenoxy)butanamide (PubChem CID 24590901) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-(4-tert-butylphenoxy)butanamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-(4-tert-butylphenoxy)butanamide
PubChem CID24590901
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-(4-tert-butylphenoxy)butanamide
SMILESCC(C)(C)c1ccc(OCCCC(=O)NC2CCN(CC(N)=O)CC2)cc1
InChIInChI=1S/C21H33N3O3/c1-21(2,3)16-6-8-18(9-7-16)27-14-4-5-20(26)23-17-10-12-24(13-11-17)15-19(22)25/h6-9,17H,4-5,10-15H2,1-3H3,(H2,22,25)(H,23,26)
InChIKeyXJJNRXAGJKUWOR-UHFFFAOYSA-N
XLogP2.21
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-(4-tert-butylphenoxy)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-tert-butylphenoxy)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]butanamide
CID 39146511
4-(4-tert-butylphenoxy)-N-[1-(2-cyanoacetyl)piperidin-4-yl]butanamide
CID 108553546
3-(4-tert-butylphenoxy)-N-cyclopropylpropanamide
CID 60631425
4-(4-tert-butylphenoxy)-N-(1-butylsulfonylpiperidin-4-yl)butanamide
CID 108561153
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(4-tert-butylphenoxy)butanamide
CID 119455929
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(4-tert-butylphenyl)prop-2-enamide
CID 103597803
4-(4-methoxyphenoxy)-N-(1-propylpiperidin-4-yl)butanamide
CID 86907108
4-(4-tert-butylphenoxy)butanamide
CID 82041345
1-[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 8557450
methyl 4-[4-(4-methylphenoxy)butanoylamino]piperidine-1-carboxylate
CID 108561101
2-[4-[2-(4-tert-butylphenoxy)acetyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 31426677
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(2,3-dimethylphenoxy)propanamide
CID 86985236

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-(4-tert-butylphenoxy)butanamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-(4-tert-butylphenoxy)butanamide (CID 24590901) is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-(4-tert-butylphenoxy)butanamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-(4-tert-butylphenoxy)butanamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-(4-tert-butylphenoxy)butanamide is CC(C)(C)c1ccc(OCCCC(=O)NC2CCN(CC(N)=O)CC2)cc1.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-(4-tert-butylphenoxy)butanamide?
The InChIKey is XJJNRXAGJKUWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-21(2,3)16-6-8-18(9-7-16)27-14-4-5-20(26)23-17-10-12-24(13-11-17)15-19(22)25/h6-9,17H,4-5,10-15H2,1-3H3,(H2,22,25)(H,23,26).
What are the key properties of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-(4-tert-butylphenoxy)butanamide?
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-(4-tert-butylphenoxy)butanamide has a molecular weight of 375.51 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-(4-tert-butylphenoxy)butanamide is sourced from PubChem (CID 24590901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).