1-but-2-enoylpiperidine-4-carboxamide

C10H16N2O2 — CID 78907164

IUPAC1-but-2-enoylpiperidine-4-carboxamide
SMILESCC=CC(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C10H16N2O2/c1-2-3-9(13)12-6-4-8(5-7-12)10(11)14/h2-3,8H,4-7H2,1H3,(H2,11,14)
InChIKeyNCKGIUXQNWXXTI-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.29
Rot. Bonds2

About 1-but-2-enoylpiperidine-4-carboxamide

1-but-2-enoylpiperidine-4-carboxamide (PubChem CID 78907164) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-but-2-enoylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-but-2-enoylpiperidine-4-carboxamide
PubChem CID78907164
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name1-but-2-enoylpiperidine-4-carboxamide
SMILESCC=CC(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C10H16N2O2/c1-2-3-9(13)12-6-4-8(5-7-12)10(11)14/h2-3,8H,4-7H2,1H3,(H2,11,14)
InChIKeyNCKGIUXQNWXXTI-UHFFFAOYSA-N
XLogP0.29
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-but-2-enoyl]piperidine-4-carboxylic acid
CID 24698061
1-(azonan-1-yl)but-2-en-1-one
CID 174056806
1-(4-methoxypiperidin-1-yl)but-2-en-1-one
CID 112723226
1-[4-(hydroxymethyl)piperidin-1-yl]but-2-en-1-one
CID 76886188
1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide
CID 846355
1-[(Z)-3-(4-tert-butylphenyl)prop-2-enoyl]piperidine-4-carboxamide
CID 2176419
1-[4-(diethylamino)piperidin-1-yl]but-2-en-1-one
CID 78968289
1-[3-(aminomethyl)pyrrolidin-1-yl]but-2-en-1-one
CID 76933146
1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidine-4-carboxamide
CID 51163837
1-(4-methylpiperidine-1-carbonyl)piperidine-4-carboxamide
CID 115575168
butane;(E)-1-piperidin-1-ylbut-2-en-1-one
CID 142213243
(E)-1-(4-pyrrolidin-2-ylpiperidin-1-yl)but-2-en-1-one
CID 63259333

Frequently Asked Questions

What is the IUPAC name of 1-but-2-enoylpiperidine-4-carboxamide?
The IUPAC name of 1-but-2-enoylpiperidine-4-carboxamide (CID 78907164) is 1-but-2-enoylpiperidine-4-carboxamide.
What is the SMILES notation for 1-but-2-enoylpiperidine-4-carboxamide?
The canonical SMILES for 1-but-2-enoylpiperidine-4-carboxamide is CC=CC(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-but-2-enoylpiperidine-4-carboxamide?
The InChIKey is NCKGIUXQNWXXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-2-3-9(13)12-6-4-8(5-7-12)10(11)14/h2-3,8H,4-7H2,1H3,(H2,11,14).
What are the key properties of 1-but-2-enoylpiperidine-4-carboxamide?
1-but-2-enoylpiperidine-4-carboxamide has a molecular weight of 196.25 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-2-enoylpiperidine-4-carboxamide is sourced from PubChem (CID 78907164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).