N'-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanediamide

C18H27N3O3 — CID 14792225

IUPACN'-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanediamide
SMILESNC(=O)CC(=O)NCCCOc1cccc(CN2CCCCC2)c1
InChIInChI=1S/C18H27N3O3/c19-17(22)13-18(23)20-8-5-11-24-16-7-4-6-15(12-16)14-21-9-2-1-3-10-21/h4,6-7,12H,1-3,5,8-11,13-14H2,(H2,19,22)(H,20,23)
InChIKeyUDOZVILPHLNPDG-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.43
Rot. Bonds9

About N'-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanediamide

N'-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanediamide (PubChem CID 14792225) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N'-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanediamide.

Molecular Properties

Compound NameN'-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanediamide
PubChem CID14792225
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN'-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanediamide
SMILESNC(=O)CC(=O)NCCCOc1cccc(CN2CCCCC2)c1
InChIInChI=1S/C18H27N3O3/c19-17(22)13-18(23)20-8-5-11-24-16-7-4-6-15(12-16)14-21-9-2-1-3-10-21/h4,6-7,12H,1-3,5,8-11,13-14H2,(H2,19,22)(H,20,23)
InChIKeyUDOZVILPHLNPDG-UHFFFAOYSA-N
XLogP1.43
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N'-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanediamide 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

3-amino-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide
CID 86182371
[2-oxo-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]ethyl] acetate
CID 5105
2-methoxy-N-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]acetamide
CID 70559206
N-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]acetamide
CID 12952125
2-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]benzene-1,2-dicarboxamide
CID 20567167
3-(2-hydroxyethylamino)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide
CID 20567188
1-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-3-propylurea
CID 14514747
N'-[3-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]propyl]propanediamide
CID 139915610
1-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-3-propan-2-ylurea
CID 14514755
5-(4-hydroxyphenyl)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]pentanamide
CID 15029681
[methyl-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylcarbamothioyl]amino]urea
CID 57040317
2-[(4-methylphenyl)methoxy]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide
CID 58756726

Frequently Asked Questions

What is the IUPAC name of N'-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanediamide?
The IUPAC name of N'-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanediamide (CID 14792225) is N'-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanediamide.
What is the SMILES notation for N'-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanediamide?
The canonical SMILES for N'-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanediamide is NC(=O)CC(=O)NCCCOc1cccc(CN2CCCCC2)c1.
What is the InChIKey of N'-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanediamide?
The InChIKey is UDOZVILPHLNPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c19-17(22)13-18(23)20-8-5-11-24-16-7-4-6-15(12-16)14-21-9-2-1-3-10-21/h4,6-7,12H,1-3,5,8-11,13-14H2,(H2,19,22)(H,20,23).
What are the key properties of N'-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanediamide?
N'-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanediamide has a molecular weight of 333.43 g/mol, XLogP of 1.43, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanediamide is sourced from PubChem (CID 14792225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).