2-methyl-N-[(E)-2-methylbut-1-enyl]piperidine-1-carboxamide

C12H22N2O — CID 108914344

IUPAC2-methyl-N-[(E)-2-methylbut-1-enyl]piperidine-1-carboxamide
SMILESCC/C(C)=C/NC(=O)N1CCCCC1C
InChIInChI=1S/C12H22N2O/c1-4-10(2)9-13-12(15)14-8-6-5-7-11(14)3/h9,11H,4-8H2,1-3H3,(H,13,15)/b10-9+
InChIKeyMXOWEHOJVVVIRW-MDZDMXLPSA-N
MW210.32 g/mol
LogP2.88
Rot. Bonds2

About 2-methyl-N-[(E)-2-methylbut-1-enyl]piperidine-1-carboxamide

2-methyl-N-[(E)-2-methylbut-1-enyl]piperidine-1-carboxamide (PubChem CID 108914344) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-methyl-N-[(E)-2-methylbut-1-enyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(E)-2-methylbut-1-enyl]piperidine-1-carboxamide
PubChem CID108914344
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-methyl-N-[(E)-2-methylbut-1-enyl]piperidine-1-carboxamide
SMILESCC/C(C)=C/NC(=O)N1CCCCC1C
InChIInChI=1S/C12H22N2O/c1-4-10(2)9-13-12(15)14-8-6-5-7-11(14)3/h9,11H,4-8H2,1-3H3,(H,13,15)/b10-9+
InChIKeyMXOWEHOJVVVIRW-MDZDMXLPSA-N
XLogP2.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethenyl-2-methylpiperidine-1-carboxamide
CID 108909188
N-butan-2-yl-2-methylpiperidine-1-carboxamide
CID 45366573
ethane;1-(2-methylpiperidin-1-yl)ethanone;propane
CID 169253047
2-methyl-N-prop-1-en-2-ylpiperidine-1-carboxamide
CID 108910296
N-(cyclohexylmethyl)-2-methylpiperidine-1-carboxamide
CID 108902901
2-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 61266922
N-cyclohexyl-2-methylpiperidine-1-carboxamide;ethane
CID 142002534
6-[(2-methylpiperidine-1-carbonyl)amino]-6-oxohexanoic acid
CID 43447279
5-[(2-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 43117881
ethane;1-(2-methylazepan-1-yl)ethanone
CID 143677776
1-(2-methylpiperidin-1-yl)but-2-en-1-one
CID 78907190
2-methyl-N-prop-2-ynylpyrrolidine-1-carboxamide
CID 130614788

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(E)-2-methylbut-1-enyl]piperidine-1-carboxamide?
The IUPAC name of 2-methyl-N-[(E)-2-methylbut-1-enyl]piperidine-1-carboxamide (CID 108914344) is 2-methyl-N-[(E)-2-methylbut-1-enyl]piperidine-1-carboxamide.
What is the SMILES notation for 2-methyl-N-[(E)-2-methylbut-1-enyl]piperidine-1-carboxamide?
The canonical SMILES for 2-methyl-N-[(E)-2-methylbut-1-enyl]piperidine-1-carboxamide is CC/C(C)=C/NC(=O)N1CCCCC1C.
What is the InChIKey of 2-methyl-N-[(E)-2-methylbut-1-enyl]piperidine-1-carboxamide?
The InChIKey is MXOWEHOJVVVIRW-MDZDMXLPSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-10(2)9-13-12(15)14-8-6-5-7-11(14)3/h9,11H,4-8H2,1-3H3,(H,13,15)/b10-9+.
What are the key properties of 2-methyl-N-[(E)-2-methylbut-1-enyl]piperidine-1-carboxamide?
2-methyl-N-[(E)-2-methylbut-1-enyl]piperidine-1-carboxamide has a molecular weight of 210.32 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(E)-2-methylbut-1-enyl]piperidine-1-carboxamide is sourced from PubChem (CID 108914344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).