3-phenyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]prop-2-ynamide

C16H18N2O — CID 107487504

IUPAC3-phenyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]prop-2-ynamide
SMILESO=C(C#Cc1ccccc1)NCCC1=CCNCC1
InChIInChI=1S/C16H18N2O/c19-16(7-6-14-4-2-1-3-5-14)18-13-10-15-8-11-17-12-9-15/h1-5,8,17H,9-13H2,(H,18,19)
InChIKeyZTVQDUHCAXBQFO-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.46
Rot. Bonds3

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

3-phenyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]prop-2-ynamide (PubChem CID 107487504) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-phenyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]prop-2-ynamide.

Molecular Properties

Compound Name3-phenyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]prop-2-ynamide
PubChem CID107487504
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name3-phenyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]prop-2-ynamide
SMILESO=C(C#Cc1ccccc1)NCCC1=CCNCC1
InChIInChI=1S/C16H18N2O/c19-16(7-6-14-4-2-1-3-5-14)18-13-10-15-8-11-17-12-9-15/h1-5,8,17H,9-13H2,(H,18,19)
InChIKeyZTVQDUHCAXBQFO-UHFFFAOYSA-N
XLogP1.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide
CID 107486741
2,6-dihydroxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107690529
N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylprop-2-ynamide
CID 65231264
N-butyl-3-phenylprop-2-ynamide
CID 141247412
2-bromo-3-fluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107486823
2-(4-fluorophenyl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide
CID 107486971
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]isoquinoline-1-carboxamide
CID 107487027
3-phenyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]prop-2-ynamide
CID 104972166
N-[2-(1H-indol-3-yl)ethyl]-3-phenylprop-2-ynamide
CID 134217339
N-hexyl-3-phenylprop-2-ynamide
CID 155936824
(E)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]but-2-enamide
CID 107486630
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cyclopentanecarboxamide
CID 107487262

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]prop-2-ynamide?
The IUPAC name of 3-phenyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]prop-2-ynamide (CID 107487504) is 3-phenyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]prop-2-ynamide.
What is the SMILES notation for 3-phenyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]prop-2-ynamide?
The canonical SMILES for 3-phenyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]prop-2-ynamide is O=C(C#Cc1ccccc1)NCCC1=CCNCC1.
What is the InChIKey of 3-phenyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]prop-2-ynamide?
The InChIKey is ZTVQDUHCAXBQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c19-16(7-6-14-4-2-1-3-5-14)18-13-10-15-8-11-17-12-9-15/h1-5,8,17H,9-13H2,(H,18,19).
What are the key properties of 3-phenyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]prop-2-ynamide?
3-phenyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]prop-2-ynamide has a molecular weight of 254.33 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]prop-2-ynamide is sourced from PubChem (CID 107487504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).