4-(4-tert-butylphenoxy)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]butanamide

C24H39N3O3 — CID 39146511

IUPAC4-(4-tert-butylphenoxy)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]butanamide
SMILESCCCNC(=O)CN1CCC(NC(=O)CCCOc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C24H39N3O3/c1-5-14-25-23(29)18-27-15-12-20(13-16-27)26-22(28)7-6-17-30-21-10-8-19(9-11-21)24(2,3)4/h8-11,20H,5-7,12-18H2,1-4H3,(H,25,29)(H,26,28)
InChIKeyGIAWLPGEVMUEFV-UHFFFAOYSA-N
MW417.59 g/mol
LogP3.25
Rot. Bonds10

About 4-(4-tert-butylphenoxy)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]butanamide

4-(4-tert-butylphenoxy)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]butanamide (PubChem CID 39146511) has the molecular formula C24H39N3O3 and a molecular weight of 417.59 g/mol. Its IUPAC name is 4-(4-tert-butylphenoxy)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]butanamide.

Molecular Properties

Compound Name4-(4-tert-butylphenoxy)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]butanamide
PubChem CID39146511
Molecular FormulaC24H39N3O3
Molecular Weight417.59 g/mol
Exact Mass417.30
IUPAC Name4-(4-tert-butylphenoxy)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]butanamide
SMILESCCCNC(=O)CN1CCC(NC(=O)CCCOc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C24H39N3O3/c1-5-14-25-23(29)18-27-15-12-20(13-16-27)26-22(28)7-6-17-30-21-10-8-19(9-11-21)24(2,3)4/h8-11,20H,5-7,12-18H2,1-4H3,(H,25,29)(H,26,28)
InChIKeyGIAWLPGEVMUEFV-UHFFFAOYSA-N
XLogP3.25
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.59
LogP ≤ 53.25
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

N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-(4-tert-butylphenoxy)butanamide
CID 24590901
4-(4-tert-butylphenoxy)-N-(1-butylsulfonylpiperidin-4-yl)butanamide
CID 108561153
1-[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 8557450
4-(4-tert-butylphenoxy)-N-[1-(2-cyanoacetyl)piperidin-4-yl]butanamide
CID 108553546
4-(4-methoxyphenoxy)-N-(1-propylpiperidin-4-yl)butanamide
CID 86907108
3-(4-tert-butylphenoxy)-N-cyclopropylpropanamide
CID 60631425
2-[4-[2-(4-tert-butylphenyl)ethylamino]piperidin-1-yl]-N-propylacetamide
CID 131963012
2-[4-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-N-propylacetamide
CID 32526909
2-[4-[[N'-[(4-tert-butylphenyl)methyl]-N-ethylcarbamimidoyl]amino]piperidin-1-yl]-N-propylacetamide
CID 111978070
4-(4-tert-butylphenoxy)-N-pentylbutanamide
CID 19173675
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(4-tert-butylphenoxy)butanamide
CID 119455929
N-[2-[4-(4-tert-butylphenoxy)butanoylamino]ethyl]cyclopropanecarboxamide
CID 51153172

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenoxy)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]butanamide?
The IUPAC name of 4-(4-tert-butylphenoxy)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]butanamide (CID 39146511) is 4-(4-tert-butylphenoxy)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]butanamide.
What is the SMILES notation for 4-(4-tert-butylphenoxy)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]butanamide?
The canonical SMILES for 4-(4-tert-butylphenoxy)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]butanamide is CCCNC(=O)CN1CCC(NC(=O)CCCOc2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 4-(4-tert-butylphenoxy)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]butanamide?
The InChIKey is GIAWLPGEVMUEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N3O3/c1-5-14-25-23(29)18-27-15-12-20(13-16-27)26-22(28)7-6-17-30-21-10-8-19(9-11-21)24(2,3)4/h8-11,20H,5-7,12-18H2,1-4H3,(H,25,29)(H,26,28).
What are the key properties of 4-(4-tert-butylphenoxy)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]butanamide?
4-(4-tert-butylphenoxy)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]butanamide has a molecular weight of 417.59 g/mol, XLogP of 3.25, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenoxy)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]butanamide is sourced from PubChem (CID 39146511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).