3-methyl-N-prop-2-enylpiperidine-1-carboxamide

C10H18N2O — CID 108987828

IUPAC3-methyl-N-prop-2-enylpiperidine-1-carboxamide
SMILESC=CCNC(=O)N1CCCC(C)C1
InChIInChI=1S/C10H18N2O/c1-3-6-11-10(13)12-7-4-5-9(2)8-12/h3,9H,1,4-8H2,2H3,(H,11,13)
InChIKeySAQTYTPWHZEJQD-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.61
Rot. Bonds2

About 3-methyl-N-prop-2-enylpiperidine-1-carboxamide

3-methyl-N-prop-2-enylpiperidine-1-carboxamide (PubChem CID 108987828) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-methyl-N-prop-2-enylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-prop-2-enylpiperidine-1-carboxamide
PubChem CID108987828
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3-methyl-N-prop-2-enylpiperidine-1-carboxamide
SMILESC=CCNC(=O)N1CCCC(C)C1
InChIInChI=1S/C10H18N2O/c1-3-6-11-10(13)12-7-4-5-9(2)8-12/h3,9H,1,4-8H2,2H3,(H,11,13)
InChIKeySAQTYTPWHZEJQD-UHFFFAOYSA-N
XLogP1.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-methylpiperidine-1-carboxamide
CID 89048200
N-prop-2-enylpyrrolidine-1-carboxamide
CID 102517238
(3S)-3-[(2,2-dimethylpropanoylamino)methyl]-N-prop-2-enylpiperidine-1-carboxamide
CID 96532461
3-methylsulfonyl-N-prop-2-enylpyrrolidine-1-carboxamide
CID 90584740
3-methyl-N-prop-2-ynylpiperidine-1-carboxamide
CID 112722495
3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide
CID 116654402
N-[(E)-3,3-dimethylbut-1-enyl]-3-methylpiperidine-1-carboxamide
CID 108911412
N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylpiperidine-1-carboxamide
CID 115623615
3-methyl-N-(3-methylsulfonylpropyl)piperidine-1-carboxamide
CID 113234945
2-(3-methylpiperidin-1-yl)-N-(prop-2-enylcarbamoyl)acetamide
CID 51170634
N-(4-amino-4-oxobutyl)-3-methylpiperidine-1-carboxamide
CID 115584144
N-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidine-1-carboxamide
CID 79159286

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-prop-2-enylpiperidine-1-carboxamide?
The IUPAC name of 3-methyl-N-prop-2-enylpiperidine-1-carboxamide (CID 108987828) is 3-methyl-N-prop-2-enylpiperidine-1-carboxamide.
What is the SMILES notation for 3-methyl-N-prop-2-enylpiperidine-1-carboxamide?
The canonical SMILES for 3-methyl-N-prop-2-enylpiperidine-1-carboxamide is C=CCNC(=O)N1CCCC(C)C1.
What is the InChIKey of 3-methyl-N-prop-2-enylpiperidine-1-carboxamide?
The InChIKey is SAQTYTPWHZEJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-3-6-11-10(13)12-7-4-5-9(2)8-12/h3,9H,1,4-8H2,2H3,(H,11,13).
What are the key properties of 3-methyl-N-prop-2-enylpiperidine-1-carboxamide?
3-methyl-N-prop-2-enylpiperidine-1-carboxamide has a molecular weight of 182.27 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-prop-2-enylpiperidine-1-carboxamide is sourced from PubChem (CID 108987828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).