1-(5-propoxypentyl)piperidin-4-one

C26H50N2O4 — CID 70277123

IUPAC1-(5-propoxypentyl)piperidin-4-one
SMILESCCCOCCCCCN1CCC(=O)CC1.CCCOCCCCCN1CCC(=O)CC1
InChIInChI=1S/2C13H25NO2/c2*1-2-11-16-12-5-3-4-8-14-9-6-13(15)7-10-14/h2*2-12H2,1H3
InChIKeyFGGYDOZYIVIYOM-UHFFFAOYSA-N
MW454.70 g/mol
LogP4.50
Rot. Bonds16

About 1-(5-propoxypentyl)piperidin-4-one

1-(5-propoxypentyl)piperidin-4-one (PubChem CID 70277123) has the molecular formula C26H50N2O4 and a molecular weight of 454.70 g/mol. Its IUPAC name is 1-(5-propoxypentyl)piperidin-4-one.

Molecular Properties

Compound Name1-(5-propoxypentyl)piperidin-4-one
PubChem CID70277123
Molecular FormulaC26H50N2O4
Molecular Weight454.70 g/mol
Exact Mass454.38
IUPAC Name1-(5-propoxypentyl)piperidin-4-one
SMILESCCCOCCCCCN1CCC(=O)CC1.CCCOCCCCCN1CCC(=O)CC1
InChIInChI=1S/2C13H25NO2/c2*1-2-11-16-12-5-3-4-8-14-9-6-13(15)7-10-14/h2*2-12H2,1H3
InChIKeyFGGYDOZYIVIYOM-UHFFFAOYSA-N
XLogP4.50
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.70
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(5-butoxypentyl)piperidin-4-one
CID 18001872
1-(6-butoxyhexyl)piperidin-4-one
CID 70277022
1-(4-butoxybutyl)piperidin-4-one
CID 70278532
1-pentadecylpiperidin-4-one
CID 10267366
1-[2-(3-methoxypropoxy)ethyl]piperidin-4-one
CID 103179796
1-(2-ethoxyethyl)piperidin-4-one
CID 15410842
butane;1-butylpiperidin-4-one
CID 177152756
1-[3-(4-oxopiperidin-1-yl)-3,6-dipropoxyhexyl]piperidin-4-one
CID 70278541
1-(5-propoxypentyl)piperidin-4-amine
CID 18002201
N-[1-(5-butoxypentyl)piperidin-4-ylidene]hydroxylamine
CID 18001674
1-octylpiperidin-3-one;1-octylpiperidin-4-one
CID 68829117
1-butyl-4-(5-ethoxypentyl)piperazine
CID 142365630

Frequently Asked Questions

What is the IUPAC name of 1-(5-propoxypentyl)piperidin-4-one?
The IUPAC name of 1-(5-propoxypentyl)piperidin-4-one (CID 70277123) is 1-(5-propoxypentyl)piperidin-4-one.
What is the SMILES notation for 1-(5-propoxypentyl)piperidin-4-one?
The canonical SMILES for 1-(5-propoxypentyl)piperidin-4-one is CCCOCCCCCN1CCC(=O)CC1.CCCOCCCCCN1CCC(=O)CC1.
What is the InChIKey of 1-(5-propoxypentyl)piperidin-4-one?
The InChIKey is FGGYDOZYIVIYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H25NO2/c2*1-2-11-16-12-5-3-4-8-14-9-6-13(15)7-10-14/h2*2-12H2,1H3.
What are the key properties of 1-(5-propoxypentyl)piperidin-4-one?
1-(5-propoxypentyl)piperidin-4-one has a molecular weight of 454.70 g/mol, XLogP of 4.50, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-propoxypentyl)piperidin-4-one is sourced from PubChem (CID 70277123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).