1-N-(4-tert-butylphenyl)-4-N-(3-ethoxypropyl)piperidine-1,4-dicarboxamide

C22H35N3O3 — CID 86986547

IUPAC1-N-(4-tert-butylphenyl)-4-N-(3-ethoxypropyl)piperidine-1,4-dicarboxamide
SMILESCCOCCCNC(=O)C1CCN(C(=O)Nc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C22H35N3O3/c1-5-28-16-6-13-23-20(26)17-11-14-25(15-12-17)21(27)24-19-9-7-18(8-10-19)22(2,3)4/h7-10,17H,5-6,11-16H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyPOHJCAOTHCHSAF-UHFFFAOYSA-N
MW389.54 g/mol
LogP3.77
Rot. Bonds7

About 1-N-(4-tert-butylphenyl)-4-N-(3-ethoxypropyl)piperidine-1,4-dicarboxamide

1-N-(4-tert-butylphenyl)-4-N-(3-ethoxypropyl)piperidine-1,4-dicarboxamide (PubChem CID 86986547) has the molecular formula C22H35N3O3 and a molecular weight of 389.54 g/mol. Its IUPAC name is 1-N-(4-tert-butylphenyl)-4-N-(3-ethoxypropyl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-tert-butylphenyl)-4-N-(3-ethoxypropyl)piperidine-1,4-dicarboxamide
PubChem CID86986547
Molecular FormulaC22H35N3O3
Molecular Weight389.54 g/mol
Exact Mass389.27
IUPAC Name1-N-(4-tert-butylphenyl)-4-N-(3-ethoxypropyl)piperidine-1,4-dicarboxamide
SMILESCCOCCCNC(=O)C1CCN(C(=O)Nc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C22H35N3O3/c1-5-28-16-6-13-23-20(26)17-11-14-25(15-12-17)21(27)24-19-9-7-18(8-10-19)22(2,3)4/h7-10,17H,5-6,11-16H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyPOHJCAOTHCHSAF-UHFFFAOYSA-N
XLogP3.77
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-N-(4-tert-butylphenyl)-4-N-(3-ethoxypropyl)piperidine-1,4-dicarboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-tert-butylphenyl)-4-N-(3-ethoxypropyl)piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-(4-tert-butylphenyl)-4-N-(3-ethoxypropyl)piperidine-1,4-dicarboxamide (CID 86986547) is 1-N-(4-tert-butylphenyl)-4-N-(3-ethoxypropyl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(4-tert-butylphenyl)-4-N-(3-ethoxypropyl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-(4-tert-butylphenyl)-4-N-(3-ethoxypropyl)piperidine-1,4-dicarboxamide is CCOCCCNC(=O)C1CCN(C(=O)Nc2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 1-N-(4-tert-butylphenyl)-4-N-(3-ethoxypropyl)piperidine-1,4-dicarboxamide?
The InChIKey is POHJCAOTHCHSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O3/c1-5-28-16-6-13-23-20(26)17-11-14-25(15-12-17)21(27)24-19-9-7-18(8-10-19)22(2,3)4/h7-10,17H,5-6,11-16H2,1-4H3,(H,23,26)(H,24,27).
What are the key properties of 1-N-(4-tert-butylphenyl)-4-N-(3-ethoxypropyl)piperidine-1,4-dicarboxamide?
1-N-(4-tert-butylphenyl)-4-N-(3-ethoxypropyl)piperidine-1,4-dicarboxamide has a molecular weight of 389.54 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-tert-butylphenyl)-4-N-(3-ethoxypropyl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 86986547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).