N-[(E)-4-pyridin-4-ylbut-3-enoyl]piperidine-1-carboxamide

C15H19N3O2 — CID 6366740

IUPACN-[(E)-4-pyridin-4-ylbut-3-enoyl]piperidine-1-carboxamide
SMILESO=C(C/C=C/c1ccncc1)NC(=O)N1CCCCC1
InChIInChI=1S/C15H19N3O2/c19-14(6-4-5-13-7-9-16-10-8-13)17-15(20)18-11-2-1-3-12-18/h4-5,7-10H,1-3,6,11-12H2,(H,17,19,20)/b5-4+
InChIKeyMLUJVNJRHPVLNJ-SNAWJCMRSA-N
MW273.34 g/mol
LogP2.21
Rot. Bonds3

About N-[(E)-4-pyridin-4-ylbut-3-enoyl]piperidine-1-carboxamide

N-[(E)-4-pyridin-4-ylbut-3-enoyl]piperidine-1-carboxamide (PubChem CID 6366740) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[(E)-4-pyridin-4-ylbut-3-enoyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-4-pyridin-4-ylbut-3-enoyl]piperidine-1-carboxamide
PubChem CID6366740
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[(E)-4-pyridin-4-ylbut-3-enoyl]piperidine-1-carboxamide
SMILESO=C(C/C=C/c1ccncc1)NC(=O)N1CCCCC1
InChIInChI=1S/C15H19N3O2/c19-14(6-4-5-13-7-9-16-10-8-13)17-15(20)18-11-2-1-3-12-18/h4-5,7-10H,1-3,6,11-12H2,(H,17,19,20)/b5-4+
InChIKeyMLUJVNJRHPVLNJ-SNAWJCMRSA-N
XLogP2.21
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-4-pyridin-4-ylbut-3-enoyl]piperidine-1-carboxamide?
The IUPAC name of N-[(E)-4-pyridin-4-ylbut-3-enoyl]piperidine-1-carboxamide (CID 6366740) is N-[(E)-4-pyridin-4-ylbut-3-enoyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[(E)-4-pyridin-4-ylbut-3-enoyl]piperidine-1-carboxamide?
The canonical SMILES for N-[(E)-4-pyridin-4-ylbut-3-enoyl]piperidine-1-carboxamide is O=C(C/C=C/c1ccncc1)NC(=O)N1CCCCC1.
What is the InChIKey of N-[(E)-4-pyridin-4-ylbut-3-enoyl]piperidine-1-carboxamide?
The InChIKey is MLUJVNJRHPVLNJ-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H19N3O2/c19-14(6-4-5-13-7-9-16-10-8-13)17-15(20)18-11-2-1-3-12-18/h4-5,7-10H,1-3,6,11-12H2,(H,17,19,20)/b5-4+.
What are the key properties of N-[(E)-4-pyridin-4-ylbut-3-enoyl]piperidine-1-carboxamide?
N-[(E)-4-pyridin-4-ylbut-3-enoyl]piperidine-1-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-pyridin-4-ylbut-3-enoyl]piperidine-1-carboxamide is sourced from PubChem (CID 6366740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).