N'-[4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]propanediamide

C18H26N4O3 — CID 67845640

IUPACN'-[4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]propanediamide
SMILESNC(=O)CC(=O)NCC=CCOc1cc(CN2CCCCC2)ccn1
InChIInChI=1S/C18H26N4O3/c19-16(23)13-17(24)20-7-2-5-11-25-18-12-15(6-8-21-18)14-22-9-3-1-4-10-22/h2,5-6,8,12H,1,3-4,7,9-11,13-14H2,(H2,19,23)(H,20,24)
InChIKeyGKBCOSHSVNCTIN-UHFFFAOYSA-N
MW346.43 g/mol
LogP0.99
Rot. Bonds9

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

N'-[4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]propanediamide (PubChem CID 67845640) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is N'-[4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]propanediamide.

Molecular Properties

Compound NameN'-[4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]propanediamide
PubChem CID67845640
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC NameN'-[4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]propanediamide
SMILESNC(=O)CC(=O)NCC=CCOc1cc(CN2CCCCC2)ccn1
InChIInChI=1S/C18H26N4O3/c19-16(23)13-17(24)20-7-2-5-11-25-18-12-15(6-8-21-18)14-22-9-3-1-4-10-22/h2,5-6,8,12H,1,3-4,7,9-11,13-14H2,(H2,19,23)(H,20,24)
InChIKeyGKBCOSHSVNCTIN-UHFFFAOYSA-N
XLogP0.99
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[(Z)-4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]pentanediamide
CID 139915589
3-oxo-3-[[(Z)-4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]amino]propanoic acid
CID 139915599
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
S-[3-oxo-3-[4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enylamino]propyl] ethanethioate
CID 57317403
N'-[3-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]propyl]propanediamide
CID 139915610
4-(2-hydroxyethylsulfanyl)-N-[(Z)-4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]butanamide
CID 67725591
2-[2-oxo-2-[[(Z)-4-[[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]amino]ethyl]sulfanylethyl acetate
CID 67725651
1-cyclopentyl-3-[(Z)-4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]urea
CID 67725976
2-(furan-3-ylmethylsulfonyl)-N-[(E)-4-[[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]acetamide
CID 14696523
(Z)-4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-en-1-amine;hydrochloride
CID 121230636
4-(cyclohexylcarbamothioylamino)-N-[(Z)-4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]butanamide
CID 139652629

Frequently Asked Questions

What is the IUPAC name of N'-[4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]propanediamide?
The IUPAC name of N'-[4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]propanediamide (CID 67845640) is N'-[4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]propanediamide.
What is the SMILES notation for N'-[4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]propanediamide?
The canonical SMILES for N'-[4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]propanediamide is NC(=O)CC(=O)NCC=CCOc1cc(CN2CCCCC2)ccn1.
What is the InChIKey of N'-[4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]propanediamide?
The InChIKey is GKBCOSHSVNCTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c19-16(23)13-17(24)20-7-2-5-11-25-18-12-15(6-8-21-18)14-22-9-3-1-4-10-22/h2,5-6,8,12H,1,3-4,7,9-11,13-14H2,(H2,19,23)(H,20,24).
What are the key properties of N'-[4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]propanediamide?
N'-[4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]propanediamide has a molecular weight of 346.43 g/mol, XLogP of 0.99, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]propanediamide is sourced from PubChem (CID 67845640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).