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

C9H16N2O — CID 107486741

IUPACN-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide
SMILESCC(=O)NCCC1=CCNCC1
InChIInChI=1S/C9H16N2O/c1-8(12)11-7-4-9-2-5-10-6-3-9/h2,10H,3-7H2,1H3,(H,11,12)
InChIKeyIFAVTVBOIADMLL-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.43
Rot. Bonds3

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

N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide (PubChem CID 107486741) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide
PubChem CID107486741
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide
SMILESCC(=O)NCCC1=CCNCC1
InChIInChI=1S/C9H16N2O/c1-8(12)11-7-4-9-2-5-10-6-3-9/h2,10H,3-7H2,1H3,(H,11,12)
InChIKeyIFAVTVBOIADMLL-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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Related Compounds

(E)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]but-2-enamide
CID 107486630
4-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pentanamide
CID 107487391
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 107487064
3,5-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107486641
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cyclopentanecarboxamide
CID 107487262
2,6-dihydroxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107690529
3,5-dihydroxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107705356
4-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butanamide
CID 107487317
2,5-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107487494
2-(4-fluorophenyl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide
CID 107486971
2-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 114031328
5-ethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]furan-2-carboxamide
CID 107487184

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide?
The IUPAC name of N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide (CID 107486741) is N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide is CC(=O)NCCC1=CCNCC1.
What is the InChIKey of N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide?
The InChIKey is IFAVTVBOIADMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-8(12)11-7-4-9-2-5-10-6-3-9/h2,10H,3-7H2,1H3,(H,11,12).
What are the key properties of N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide?
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide 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-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide is sourced from PubChem (CID 107486741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).