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

C10H18N2O — CID 117125760

IUPACN-ethyl-3-(1,2,3,6-tetrahydropyridin-5-yl)propanamide
SMILESCCNC(=O)CCC1=CCCNC1
InChIInChI=1S/C10H18N2O/c1-2-12-10(13)6-5-9-4-3-7-11-8-9/h4,11H,2-3,5-8H2,1H3,(H,12,13)
InChIKeyLZFRVELPHYNUNL-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.82
Rot. Bonds4

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

N-ethyl-3-(1,2,3,6-tetrahydropyridin-5-yl)propanamide (PubChem CID 117125760) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-ethyl-3-(1,2,3,6-tetrahydropyridin-5-yl)propanamide.

Molecular Properties

Compound NameN-ethyl-3-(1,2,3,6-tetrahydropyridin-5-yl)propanamide
PubChem CID117125760
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-ethyl-3-(1,2,3,6-tetrahydropyridin-5-yl)propanamide
SMILESCCNC(=O)CCC1=CCCNC1
InChIInChI=1S/C10H18N2O/c1-2-12-10(13)6-5-9-4-3-7-11-8-9/h4,11H,2-3,5-8H2,1H3,(H,12,13)
InChIKeyLZFRVELPHYNUNL-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-ethyl-3-(1,2,3,6-tetrahydropyridin-5-yl)propanamide?
The IUPAC name of N-ethyl-3-(1,2,3,6-tetrahydropyridin-5-yl)propanamide (CID 117125760) is N-ethyl-3-(1,2,3,6-tetrahydropyridin-5-yl)propanamide.
What is the SMILES notation for N-ethyl-3-(1,2,3,6-tetrahydropyridin-5-yl)propanamide?
The canonical SMILES for N-ethyl-3-(1,2,3,6-tetrahydropyridin-5-yl)propanamide is CCNC(=O)CCC1=CCCNC1.
What is the InChIKey of N-ethyl-3-(1,2,3,6-tetrahydropyridin-5-yl)propanamide?
The InChIKey is LZFRVELPHYNUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-2-12-10(13)6-5-9-4-3-7-11-8-9/h4,11H,2-3,5-8H2,1H3,(H,12,13).
What are the key properties of N-ethyl-3-(1,2,3,6-tetrahydropyridin-5-yl)propanamide?
N-ethyl-3-(1,2,3,6-tetrahydropyridin-5-yl)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-ethyl-3-(1,2,3,6-tetrahydropyridin-5-yl)propanamide is sourced from PubChem (CID 117125760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).