N-(2-methylprop-2-enoyl)piperidine-3-carboxamide

C10H16N2O2 — CID 176884456

IUPACN-(2-methylprop-2-enoyl)piperidine-3-carboxamide
SMILESC=C(C)C(=O)NC(=O)C1CCCNC1
InChIInChI=1S/C10H16N2O2/c1-7(2)9(13)12-10(14)8-4-3-5-11-6-8/h8,11H,1,3-6H2,2H3,(H,12,13,14)
InChIKeyLKCDPJFTKLWVDL-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.20
Rot. Bonds2

About N-(2-methylprop-2-enoyl)piperidine-3-carboxamide

N-(2-methylprop-2-enoyl)piperidine-3-carboxamide (PubChem CID 176884456) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is N-(2-methylprop-2-enoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylprop-2-enoyl)piperidine-3-carboxamide
PubChem CID176884456
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC NameN-(2-methylprop-2-enoyl)piperidine-3-carboxamide
SMILESC=C(C)C(=O)NC(=O)C1CCCNC1
InChIInChI=1S/C10H16N2O2/c1-7(2)9(13)12-10(14)8-4-3-5-11-6-8/h8,11H,1,3-6H2,2H3,(H,12,13,14)
InChIKeyLKCDPJFTKLWVDL-UHFFFAOYSA-N
XLogP0.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;(3R)-N-methylpiperidine-3-carboxamide
CID 145422305
ethane;piperidine-3-carbohydrazide
CID 143869941
N-(2-oxopropyl)piperidine-3-carboxamide
CID 83629204
N-acetylpyrrolidine-3-carboxamide
CID 69120322
N-ethylpiperidine-3-carboxamide;hydrochloride
CID 53410852
(3R)-N-pentanoylpiperidine-3-carboxamide
CID 174696640
N-tert-butylpiperidine-3-carboxamide;hydrochloride
CID 56832046
(3R)-N-(3,5-dimethylcyclohexyl)piperidine-3-carboxamide
CID 81134524
(3S)-N-cyclobutylpiperidine-3-carboxamide
CID 81141296
4-methyl-1-piperidin-3-ylpent-4-en-1-one
CID 114477848
(3S)-N-(3-methylbutan-2-yl)piperidine-3-carboxamide
CID 81123470
(3R)-N-(2,2,3,3-tetramethylcyclopropyl)piperidine-3-carboxamide
CID 81133413

Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-2-enoyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-methylprop-2-enoyl)piperidine-3-carboxamide (CID 176884456) is N-(2-methylprop-2-enoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-methylprop-2-enoyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-methylprop-2-enoyl)piperidine-3-carboxamide is C=C(C)C(=O)NC(=O)C1CCCNC1.
What is the InChIKey of N-(2-methylprop-2-enoyl)piperidine-3-carboxamide?
The InChIKey is LKCDPJFTKLWVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-7(2)9(13)12-10(14)8-4-3-5-11-6-8/h8,11H,1,3-6H2,2H3,(H,12,13,14).
What are the key properties of N-(2-methylprop-2-enoyl)piperidine-3-carboxamide?
N-(2-methylprop-2-enoyl)piperidine-3-carboxamide has a molecular weight of 196.25 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-2-enoyl)piperidine-3-carboxamide is sourced from PubChem (CID 176884456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).