1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidine-4-carboxamide

C13H16N2O2S — CID 51163837

IUPAC1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)/C=C/c2cccs2)CC1
InChIInChI=1S/C13H16N2O2S/c14-13(17)10-5-7-15(8-6-10)12(16)4-3-11-2-1-9-18-11/h1-4,9-10H,5-8H2,(H2,14,17)/b4-3+
InChIKeyDVEJDSHYJLPJFK-ONEGZZNKSA-N
MW264.35 g/mol
LogP1.49
Rot. Bonds3

About 1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidine-4-carboxamide

1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidine-4-carboxamide (PubChem CID 51163837) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidine-4-carboxamide
PubChem CID51163837
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)/C=C/c2cccs2)CC1
InChIInChI=1S/C13H16N2O2S/c14-13(17)10-5-7-15(8-6-10)12(16)4-3-11-2-1-9-18-11/h1-4,9-10H,5-8H2,(H2,14,17)/b4-3+
InChIKeyDVEJDSHYJLPJFK-ONEGZZNKSA-N
XLogP1.49
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(4-hydroxypiperidin-1-yl)-3-thiophen-2-ylprop-2-en-1-one
CID 43415934
(E)-1-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 134029930
1-[(E)-3-thiophen-2-ylprop-2-enoyl]pyrrolidine-3-carboxylic acid
CID 63007021
(E)-1-[(3R)-3-aminopyrrolidin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 81469045
(2S)-1-[1-[(Z)-3-thiophen-2-ylprop-2-enoyl]piperidin-4-yl]pyrrolidine-2-carboxamide
CID 98756236
(2R)-1-[1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidin-4-yl]pyrrolidine-2-carboxamide
CID 95281489
3-thiophen-2-yl-1-[4-(3-thiophen-2-ylprop-2-enoyl)-1,4-diazepan-1-yl]prop-2-en-1-one
CID 1000917
1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 79029428
1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide
CID 846355
1-(4-cyclopropylidenepiperidin-1-yl)-3-thiophen-2-ylprop-2-en-1-one
CID 171137202
(E)-1-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 70848789
(E)-1-(4-amino-3-ethylpiperidin-1-yl)-3-thiophen-2-ylprop-2-en-1-one
CID 81458095

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidine-4-carboxamide (CID 51163837) is 1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)/C=C/c2cccs2)CC1.
What is the InChIKey of 1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidine-4-carboxamide?
The InChIKey is DVEJDSHYJLPJFK-ONEGZZNKSA-N. The full InChI is InChI=1S/C13H16N2O2S/c14-13(17)10-5-7-15(8-6-10)12(16)4-3-11-2-1-9-18-11/h1-4,9-10H,5-8H2,(H2,14,17)/b4-3+.
What are the key properties of 1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidine-4-carboxamide?
1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidine-4-carboxamide has a molecular weight of 264.35 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidine-4-carboxamide is sourced from PubChem (CID 51163837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).