N-methyl-3-(1-prop-2-enylpiperidin-3-yl)propanamide

C12H22N2O — CID 143202485

IUPACN-methyl-3-(1-prop-2-enylpiperidin-3-yl)propanamide
SMILESC=CCN1CCCC(CCC(=O)NC)C1
InChIInChI=1S/C12H22N2O/c1-3-8-14-9-4-5-11(10-14)6-7-12(15)13-2/h3,11H,1,4-10H2,2H3,(H,13,15)
InChIKeyCGDNREWYGIWBIG-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.41
Rot. Bonds5

About N-methyl-3-(1-prop-2-enylpiperidin-3-yl)propanamide

N-methyl-3-(1-prop-2-enylpiperidin-3-yl)propanamide (PubChem CID 143202485) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-methyl-3-(1-prop-2-enylpiperidin-3-yl)propanamide.

Molecular Properties

Compound NameN-methyl-3-(1-prop-2-enylpiperidin-3-yl)propanamide
PubChem CID143202485
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-methyl-3-(1-prop-2-enylpiperidin-3-yl)propanamide
SMILESC=CCN1CCCC(CCC(=O)NC)C1
InChIInChI=1S/C12H22N2O/c1-3-8-14-9-4-5-11(10-14)6-7-12(15)13-2/h3,11H,1,4-10H2,2H3,(H,13,15)
InChIKeyCGDNREWYGIWBIG-UHFFFAOYSA-N
XLogP1.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.41
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

2-(1-prop-2-enylpiperidin-3-yl)ethanol
CID 62356814
3-[3-(hydroxymethyl)piperidin-1-yl]-N-methylpropanamide
CID 62324485
N-methyl-4-[3-(propylaminomethyl)piperidin-1-yl]butanamide
CID 63890612
N-propan-2-yl-1-prop-2-enylpiperidin-3-amine
CID 83696638
4-(3-hydroxypiperidin-1-yl)-N-methylbutanamide
CID 63892540
3-[1-(2-cyclopentylethyl)piperidin-3-yl]propanoic acid
CID 114191537
2-[3-(ethylaminomethyl)piperidin-1-yl]-N-methylacetamide
CID 63849498
N-methyl-4-[(1-methylpiperidin-3-yl)methylamino]butanamide
CID 63892274
2-[3-(methylaminomethyl)piperidin-1-yl]acetaldehyde
CID 62031139
3-[1-(3-hydroxy-3-methylbutyl)piperidin-3-yl]propanoic acid
CID 79356125
oxalic acid;N-(1-prop-2-enylpyrrolidin-3-yl)propanamide
CID 21128373
4-[1-(2-methylpropyl)piperidin-3-yl]butan-2-one
CID 83982945

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1-prop-2-enylpiperidin-3-yl)propanamide?
The IUPAC name of N-methyl-3-(1-prop-2-enylpiperidin-3-yl)propanamide (CID 143202485) is N-methyl-3-(1-prop-2-enylpiperidin-3-yl)propanamide.
What is the SMILES notation for N-methyl-3-(1-prop-2-enylpiperidin-3-yl)propanamide?
The canonical SMILES for N-methyl-3-(1-prop-2-enylpiperidin-3-yl)propanamide is C=CCN1CCCC(CCC(=O)NC)C1.
What is the InChIKey of N-methyl-3-(1-prop-2-enylpiperidin-3-yl)propanamide?
The InChIKey is CGDNREWYGIWBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-8-14-9-4-5-11(10-14)6-7-12(15)13-2/h3,11H,1,4-10H2,2H3,(H,13,15).
What are the key properties of N-methyl-3-(1-prop-2-enylpiperidin-3-yl)propanamide?
N-methyl-3-(1-prop-2-enylpiperidin-3-yl)propanamide has a molecular weight of 210.32 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1-prop-2-enylpiperidin-3-yl)propanamide is sourced from PubChem (CID 143202485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).