1-(2-methylbut-2-enyl)piperidine-3-carboxamide

C11H20N2O — CID 2845933

IUPAC1-(2-methylbut-2-enyl)piperidine-3-carboxamide
SMILESCC=C(C)CN1CCCC(C(N)=O)C1
InChIInChI=1S/C11H20N2O/c1-3-9(2)7-13-6-4-5-10(8-13)11(12)14/h3,10H,4-8H2,1-2H3,(H2,12,14)
InChIKeyVMOYOJPOPJQSJM-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.15
Rot. Bonds3

About 1-(2-methylbut-2-enyl)piperidine-3-carboxamide

1-(2-methylbut-2-enyl)piperidine-3-carboxamide (PubChem CID 2845933) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(2-methylbut-2-enyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methylbut-2-enyl)piperidine-3-carboxamide
PubChem CID2845933
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-(2-methylbut-2-enyl)piperidine-3-carboxamide
SMILESCC=C(C)CN1CCCC(C(N)=O)C1
InChIInChI=1S/C11H20N2O/c1-3-9(2)7-13-6-4-5-10(8-13)11(12)14/h3,10H,4-8H2,1-2H3,(H2,12,14)
InChIKeyVMOYOJPOPJQSJM-UHFFFAOYSA-N
XLogP1.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-[(E)-2-methylbut-2-enyl]piperidine-3-carboxylate
CID 44827929
1-[2-[(3-carbamoylpiperidin-1-yl)methyl]-3-oxobutyl]piperidine-3-carboxamide
CID 23456665
(3R)-1-(2,2-dimethylpropyl)piperidine-3-carboxamide
CID 58877777
1-(2,2-dimethylpropyl)piperidine-3-carboxamide
CID 21060232
1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-3-carboxamide
CID 78913114
1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperidine-3-carboxamide
CID 50983691
1-(2-chloroethyl)piperidine-3-carboxamide
CID 61287310
(3S)-1-dodecylpiperidine-3-carboxamide
CID 98141559
1-[2-(2-hydroxyethylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 43509608
1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 42950662
1-(3-bromopropyl)piperidine-3-carboxamide
CID 61287309
2-(3-acetylpiperidin-1-yl)-N-carbamoylacetamide
CID 63846142

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbut-2-enyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2-methylbut-2-enyl)piperidine-3-carboxamide (CID 2845933) is 1-(2-methylbut-2-enyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-methylbut-2-enyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2-methylbut-2-enyl)piperidine-3-carboxamide is CC=C(C)CN1CCCC(C(N)=O)C1.
What is the InChIKey of 1-(2-methylbut-2-enyl)piperidine-3-carboxamide?
The InChIKey is VMOYOJPOPJQSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-3-9(2)7-13-6-4-5-10(8-13)11(12)14/h3,10H,4-8H2,1-2H3,(H2,12,14).
What are the key properties of 1-(2-methylbut-2-enyl)piperidine-3-carboxamide?
1-(2-methylbut-2-enyl)piperidine-3-carboxamide has a molecular weight of 196.29 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbut-2-enyl)piperidine-3-carboxamide is sourced from PubChem (CID 2845933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).