N-ethyl-N-[2-oxo-2-[2-[2-(triazol-1-yl)ethyl]piperidin-1-yl]ethyl]prop-2-enamide

C16H25N5O2 — CID 167767085

IUPACN-ethyl-N-[2-oxo-2-[2-[2-(triazol-1-yl)ethyl]piperidin-1-yl]ethyl]prop-2-enamide
SMILESC=CC(=O)N(CC)CC(=O)N1CCCCC1CCn1ccnn1
InChIInChI=1S/C16H25N5O2/c1-3-15(22)19(4-2)13-16(23)21-10-6-5-7-14(21)8-11-20-12-9-17-18-20/h3,9,12,14H,1,4-8,10-11,13H2,2H3
InChIKeyXQUZJCMJRJWKBD-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.08
Rot. Bonds7

About N-ethyl-N-[2-oxo-2-[2-[2-(triazol-1-yl)ethyl]piperidin-1-yl]ethyl]prop-2-enamide

N-ethyl-N-[2-oxo-2-[2-[2-(triazol-1-yl)ethyl]piperidin-1-yl]ethyl]prop-2-enamide (PubChem CID 167767085) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-ethyl-N-[2-oxo-2-[2-[2-(triazol-1-yl)ethyl]piperidin-1-yl]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-ethyl-N-[2-oxo-2-[2-[2-(triazol-1-yl)ethyl]piperidin-1-yl]ethyl]prop-2-enamide
PubChem CID167767085
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC NameN-ethyl-N-[2-oxo-2-[2-[2-(triazol-1-yl)ethyl]piperidin-1-yl]ethyl]prop-2-enamide
SMILESC=CC(=O)N(CC)CC(=O)N1CCCCC1CCn1ccnn1
InChIInChI=1S/C16H25N5O2/c1-3-15(22)19(4-2)13-16(23)21-10-6-5-7-14(21)8-11-20-12-9-17-18-20/h3,9,12,14H,1,4-8,10-11,13H2,2H3
InChIKeyXQUZJCMJRJWKBD-UHFFFAOYSA-N
XLogP1.08
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-oxo-2-[2-[2-(triazol-1-yl)ethyl]piperidin-1-yl]ethyl]prop-2-enamide?
The IUPAC name of N-ethyl-N-[2-oxo-2-[2-[2-(triazol-1-yl)ethyl]piperidin-1-yl]ethyl]prop-2-enamide (CID 167767085) is N-ethyl-N-[2-oxo-2-[2-[2-(triazol-1-yl)ethyl]piperidin-1-yl]ethyl]prop-2-enamide.
What is the SMILES notation for N-ethyl-N-[2-oxo-2-[2-[2-(triazol-1-yl)ethyl]piperidin-1-yl]ethyl]prop-2-enamide?
The canonical SMILES for N-ethyl-N-[2-oxo-2-[2-[2-(triazol-1-yl)ethyl]piperidin-1-yl]ethyl]prop-2-enamide is C=CC(=O)N(CC)CC(=O)N1CCCCC1CCn1ccnn1.
What is the InChIKey of N-ethyl-N-[2-oxo-2-[2-[2-(triazol-1-yl)ethyl]piperidin-1-yl]ethyl]prop-2-enamide?
The InChIKey is XQUZJCMJRJWKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-3-15(22)19(4-2)13-16(23)21-10-6-5-7-14(21)8-11-20-12-9-17-18-20/h3,9,12,14H,1,4-8,10-11,13H2,2H3.
What are the key properties of N-ethyl-N-[2-oxo-2-[2-[2-(triazol-1-yl)ethyl]piperidin-1-yl]ethyl]prop-2-enamide?
N-ethyl-N-[2-oxo-2-[2-[2-(triazol-1-yl)ethyl]piperidin-1-yl]ethyl]prop-2-enamide has a molecular weight of 319.41 g/mol, XLogP of 1.08, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-oxo-2-[2-[2-(triazol-1-yl)ethyl]piperidin-1-yl]ethyl]prop-2-enamide is sourced from PubChem (CID 167767085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).