N-ethyl-2-(1,2,3,6-tetrahydropyridin-5-yl)acetamide

C9H16N2O — CID 117125669

IUPACN-ethyl-2-(1,2,3,6-tetrahydropyridin-5-yl)acetamide
SMILESCCNC(=O)CC1=CCCNC1
InChIInChI=1S/C9H16N2O/c1-2-11-9(12)6-8-4-3-5-10-7-8/h4,10H,2-3,5-7H2,1H3,(H,11,12)
InChIKeyOKAPJTKEFSNBOJ-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.43
Rot. Bonds3

About N-ethyl-2-(1,2,3,6-tetrahydropyridin-5-yl)acetamide

N-ethyl-2-(1,2,3,6-tetrahydropyridin-5-yl)acetamide (PubChem CID 117125669) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-ethyl-2-(1,2,3,6-tetrahydropyridin-5-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(1,2,3,6-tetrahydropyridin-5-yl)acetamide
PubChem CID117125669
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-ethyl-2-(1,2,3,6-tetrahydropyridin-5-yl)acetamide
SMILESCCNC(=O)CC1=CCCNC1
InChIInChI=1S/C9H16N2O/c1-2-11-9(12)6-8-4-3-5-10-7-8/h4,10H,2-3,5-7H2,1H3,(H,11,12)
InChIKeyOKAPJTKEFSNBOJ-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

N-ethyl-3-(1,2,3,6-tetrahydropyridin-5-yl)propanamide
CID 117125760
N-(1,2,3,6-tetrahydropyridin-5-ylmethyl)ethanamine
CID 117125538
N-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide
CID 115104802
N-ethyl-N-propyl-1,2,3,6-tetrahydropyridine-5-carboxamide;hydrochloride
CID 142231756
5-(2-methylsulfonylethyl)-1,2,3,6-tetrahydropyridine
CID 117125555
N-methyl-1-(1,2,3,6-tetrahydropyridin-5-yl)propan-2-amine
CID 117205877
(3-hydroxyphenyl) 2-(1,2,3,6-tetrahydropyridin-5-yl)acetate
CID 117125658
5-(propan-2-ylsulfonylmethyl)-1,2,3,6-tetrahydropyridine
CID 117125518
2-(1,2,3,6-tetrahydropyridin-5-yl)ethanamine
CID 117125546
4-(1,2,3,6-tetrahydropyridin-5-yl)butan-1-ol
CID 117275084
N-ethyl-2-(2-oxo-1,4-diazepan-1-yl)acetamide
CID 65362324
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide
CID 114693648

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1,2,3,6-tetrahydropyridin-5-yl)acetamide?
The IUPAC name of N-ethyl-2-(1,2,3,6-tetrahydropyridin-5-yl)acetamide (CID 117125669) is N-ethyl-2-(1,2,3,6-tetrahydropyridin-5-yl)acetamide.
What is the SMILES notation for N-ethyl-2-(1,2,3,6-tetrahydropyridin-5-yl)acetamide?
The canonical SMILES for N-ethyl-2-(1,2,3,6-tetrahydropyridin-5-yl)acetamide is CCNC(=O)CC1=CCCNC1.
What is the InChIKey of N-ethyl-2-(1,2,3,6-tetrahydropyridin-5-yl)acetamide?
The InChIKey is OKAPJTKEFSNBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-2-11-9(12)6-8-4-3-5-10-7-8/h4,10H,2-3,5-7H2,1H3,(H,11,12).
What are the key properties of N-ethyl-2-(1,2,3,6-tetrahydropyridin-5-yl)acetamide?
N-ethyl-2-(1,2,3,6-tetrahydropyridin-5-yl)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-ethyl-2-(1,2,3,6-tetrahydropyridin-5-yl)acetamide is sourced from PubChem (CID 117125669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).