N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide

C9H16N2O — CID 114693648

IUPACN-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide
SMILESCCC(=O)NCC1=CCNCC1
InChIInChI=1S/C9H16N2O/c1-2-9(12)11-7-8-3-5-10-6-4-8/h3,10H,2,4-7H2,1H3,(H,11,12)
InChIKeyANELTBHXVXIYRI-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.43
Rot. Bonds3

About N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide

N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide (PubChem CID 114693648) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound NameN-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide
PubChem CID114693648
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide
SMILESCCC(=O)NCC1=CCNCC1
InChIInChI=1S/C9H16N2O/c1-2-9(12)11-7-8-3-5-10-6-4-8/h3,10H,2,4-7H2,1H3,(H,11,12)
InChIKeyANELTBHXVXIYRI-UHFFFAOYSA-N
XLogP0.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.43
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-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide?
The IUPAC name of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide (CID 114693648) is N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide.
What is the SMILES notation for N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide?
The canonical SMILES for N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide is CCC(=O)NCC1=CCNCC1.
What is the InChIKey of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide?
The InChIKey is ANELTBHXVXIYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-2-9(12)11-7-8-3-5-10-6-4-8/h3,10H,2,4-7H2,1H3,(H,11,12).
What are the key properties of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide?
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide has a molecular weight of 168.24 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 114693648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).