N'-[3-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]propyl]propanediamide

C17H26N4O3 — CID 139915610

IUPACN'-[3-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]propyl]propanediamide
SMILESNC(=O)CC(=O)NCCCOc1cc(CN2CCCCC2)ccn1
InChIInChI=1S/C17H26N4O3/c18-15(22)12-16(23)19-6-4-10-24-17-11-14(5-7-20-17)13-21-8-2-1-3-9-21/h5,7,11H,1-4,6,8-10,12-13H2,(H2,18,22)(H,19,23)
InChIKeyOLUVHDMPENXKPJ-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.83
Rot. Bonds9

About N'-[3-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]propyl]propanediamide

N'-[3-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]propyl]propanediamide (PubChem CID 139915610) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is N'-[3-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]propyl]propanediamide.

Molecular Properties

Compound NameN'-[3-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]propyl]propanediamide
PubChem CID139915610
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC NameN'-[3-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]propyl]propanediamide
SMILESNC(=O)CC(=O)NCCCOc1cc(CN2CCCCC2)ccn1
InChIInChI=1S/C17H26N4O3/c18-15(22)12-16(23)19-6-4-10-24-17-11-14(5-7-20-17)13-21-8-2-1-3-9-21/h5,7,11H,1-4,6,8-10,12-13H2,(H2,18,22)(H,19,23)
InChIKeyOLUVHDMPENXKPJ-UHFFFAOYSA-N
XLogP0.83
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]propanediamide
CID 67845640
1-[3-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]propyl]-3-propan-2-ylurea
CID 19962926
N'-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanediamide
CID 14792225
N'-[(Z)-4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]pentanediamide
CID 139915589
4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]butan-1-ol
CID 15228214
4-(piperidin-1-ylmethyl)-2-propoxypyridine
CID 54041616
3-oxo-3-[[(Z)-4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]amino]propanoic acid
CID 139915599
3-N-[3-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]propyl]-1,2,5-thiadiazole-3,4-diamine
CID 13313699
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
N-[(Z)-4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]-N'-propan-2-ylpropanediamide
CID 139915609
2-(3-hydroxypropylsulfanyl)-N-[(Z)-4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]acetamide
CID 67726286

Frequently Asked Questions

What is the IUPAC name of N'-[3-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]propyl]propanediamide?
The IUPAC name of N'-[3-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]propyl]propanediamide (CID 139915610) is N'-[3-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]propyl]propanediamide.
What is the SMILES notation for N'-[3-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]propyl]propanediamide?
The canonical SMILES for N'-[3-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]propyl]propanediamide is NC(=O)CC(=O)NCCCOc1cc(CN2CCCCC2)ccn1.
What is the InChIKey of N'-[3-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]propyl]propanediamide?
The InChIKey is OLUVHDMPENXKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c18-15(22)12-16(23)19-6-4-10-24-17-11-14(5-7-20-17)13-21-8-2-1-3-9-21/h5,7,11H,1-4,6,8-10,12-13H2,(H2,18,22)(H,19,23).
What are the key properties of N'-[3-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]propyl]propanediamide?
N'-[3-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]propyl]propanediamide has a molecular weight of 334.42 g/mol, XLogP of 0.83, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]propyl]propanediamide is sourced from PubChem (CID 139915610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).