N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide

C10H18N2O — CID 107486753

IUPACN-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide
SMILESCCC(=O)NCCC1=CCNCC1
InChIInChI=1S/C10H18N2O/c1-2-10(13)12-8-5-9-3-6-11-7-4-9/h3,11H,2,4-8H2,1H3,(H,12,13)
InChIKeyXUKKXLFUOFWZJB-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.82
Rot. Bonds4

About N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide

N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide (PubChem CID 107486753) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide
PubChem CID107486753
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide
SMILESCCC(=O)NCCC1=CCNCC1
InChIInChI=1S/C10H18N2O/c1-2-10(13)12-8-5-9-3-6-11-7-4-9/h3,11H,2,4-8H2,1H3,(H,12,13)
InChIKeyXUKKXLFUOFWZJB-UHFFFAOYSA-N
XLogP0.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide?
The IUPAC name of N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide (CID 107486753) is N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide is CCC(=O)NCCC1=CCNCC1.
What is the InChIKey of N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide?
The InChIKey is XUKKXLFUOFWZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-2-10(13)12-8-5-9-3-6-11-7-4-9/h3,11H,2,4-8H2,1H3,(H,12,13).
What are the key properties of N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide?
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide has a molecular weight of 182.27 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide is sourced from PubChem (CID 107486753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).