3-(3-methylidenepiperidin-1-yl)-3-oxopropanamide

C9H14N2O2 — CID 130693121

IUPAC3-(3-methylidenepiperidin-1-yl)-3-oxopropanamide
SMILESC=C1CCCN(C(=O)CC(N)=O)C1
InChIInChI=1S/C9H14N2O2/c1-7-3-2-4-11(6-7)9(13)5-8(10)12/h1-6H2,(H2,10,12)
InChIKeyKNDOYAZLQRGSHY-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.04
Rot. Bonds2

About 3-(3-methylidenepiperidin-1-yl)-3-oxopropanamide

3-(3-methylidenepiperidin-1-yl)-3-oxopropanamide (PubChem CID 130693121) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-(3-methylidenepiperidin-1-yl)-3-oxopropanamide.

Molecular Properties

Compound Name3-(3-methylidenepiperidin-1-yl)-3-oxopropanamide
PubChem CID130693121
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3-(3-methylidenepiperidin-1-yl)-3-oxopropanamide
SMILESC=C1CCCN(C(=O)CC(N)=O)C1
InChIInChI=1S/C9H14N2O2/c1-7-3-2-4-11(6-7)9(13)5-8(10)12/h1-6H2,(H2,10,12)
InChIKeyKNDOYAZLQRGSHY-UHFFFAOYSA-N
XLogP0.04
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-oxo-3-(2-oxopyrrolidin-1-yl)propanamide
CID 174751392
2,2-dimethyl-3-(3-methylidenepiperidin-1-yl)-3-oxopropanenitrile
CID 164644029
3-(4-hydroxy-4-propan-2-ylazepan-1-yl)-3-oxopropanamide
CID 58456130
cyclohex-3-en-1-yl-(3-methylidenepiperidin-1-yl)methanone
CID 126855015
3-oxo-3-pyrrolidin-1-ylpropanethioamide
CID 2771373
2-[(3-methylidenepiperidin-1-yl)methyl]prop-2-enoic acid
CID 164652055
1,3-bis(azepan-1-yl)propane-1,3-dione
CID 108952660
1-[2-(1-methylcyclopropyl)acetyl]piperidin-3-one
CID 130943642
N'-hydroxy-3-oxo-3-(3-oxo-1,4-diazepan-1-yl)propanimidamide
CID 77066466
1-(azetidin-1-yl)-3-methylbut-3-en-1-one
CID 155738166
1-methyl-3-methylidenepiperidine
CID 15656059
1-(3-methylideneazetidin-1-yl)butan-1-one
CID 155738146

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylidenepiperidin-1-yl)-3-oxopropanamide?
The IUPAC name of 3-(3-methylidenepiperidin-1-yl)-3-oxopropanamide (CID 130693121) is 3-(3-methylidenepiperidin-1-yl)-3-oxopropanamide.
What is the SMILES notation for 3-(3-methylidenepiperidin-1-yl)-3-oxopropanamide?
The canonical SMILES for 3-(3-methylidenepiperidin-1-yl)-3-oxopropanamide is C=C1CCCN(C(=O)CC(N)=O)C1.
What is the InChIKey of 3-(3-methylidenepiperidin-1-yl)-3-oxopropanamide?
The InChIKey is KNDOYAZLQRGSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-7-3-2-4-11(6-7)9(13)5-8(10)12/h1-6H2,(H2,10,12).
What are the key properties of 3-(3-methylidenepiperidin-1-yl)-3-oxopropanamide?
3-(3-methylidenepiperidin-1-yl)-3-oxopropanamide has a molecular weight of 182.22 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylidenepiperidin-1-yl)-3-oxopropanamide is sourced from PubChem (CID 130693121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).