N-(6-methylidenepiperidin-3-yl)-2-oxopropanamide

C9H14N2O2 — CID 20632774

IUPACN-(6-methylidenepiperidin-3-yl)-2-oxopropanamide
SMILESC=C1CCC(NC(=O)C(C)=O)CN1
InChIInChI=1S/C9H14N2O2/c1-6-3-4-8(5-10-6)11-9(13)7(2)12/h8,10H,1,3-5H2,2H3,(H,11,13)
InChIKeyBUQQVEMXXYHZLS-UHFFFAOYSA-N
MW182.22 g/mol
LogP-0.04
Rot. Bonds2

About N-(6-methylidenepiperidin-3-yl)-2-oxopropanamide

N-(6-methylidenepiperidin-3-yl)-2-oxopropanamide (PubChem CID 20632774) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is N-(6-methylidenepiperidin-3-yl)-2-oxopropanamide.

Molecular Properties

Compound NameN-(6-methylidenepiperidin-3-yl)-2-oxopropanamide
PubChem CID20632774
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC NameN-(6-methylidenepiperidin-3-yl)-2-oxopropanamide
SMILESC=C1CCC(NC(=O)C(C)=O)CN1
InChIInChI=1S/C9H14N2O2/c1-6-3-4-8(5-10-6)11-9(13)7(2)12/h8,10H,1,3-5H2,2H3,(H,11,13)
InChIKeyBUQQVEMXXYHZLS-UHFFFAOYSA-N
XLogP-0.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(6-methylidenepiperidin-3-yl)-2-oxopropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2R,5S)-5-butyl-6-methylidenepiperazin-2-yl]ethanone
CID 89328732
3-(Methylamino)-6-methylidenepiperidin-2-one
CID 132135335
1-Methyl-4-[4-methyl-2-(methylamino)-3-oxopent-4-enyl]piperazine-2,3-dione
CID 139972922
ethane;N-(6-methylidene-2-oxopiperidin-3-yl)formamide
CID 141788912
6-Ethyl-5-methylidenepiperazin-2-one
CID 145134588
3-(Ethylamino)-6-methylidenepiperidin-2-one
CID 164923084
1-Methyl-3-(methylamino)-6-methylidenepiperidin-2-one
CID 171788476
2-(oct-1-en-2-ylamino)-N-(2-oxopropyl)acetamide
CID 174359714
ethane;(Z)-4-(methylamino)-5-(2-oxopropylamino)-1-piperazin-1-ylpent-4-en-1-one
CID 178062628
N-(6-methylidene-2-oxopiperidin-3-yl)formamide
CID 141788913
N-but-1-en-2-yl-N-methyl-2-[(3S)-3-(methylamino)-2-oxopiperidin-1-yl]acetamide
CID 142159188
N-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)formamide
CID 142364794

Frequently Asked Questions

What is the IUPAC name of N-(6-methylidenepiperidin-3-yl)-2-oxopropanamide?
The IUPAC name of N-(6-methylidenepiperidin-3-yl)-2-oxopropanamide (CID 20632774) is N-(6-methylidenepiperidin-3-yl)-2-oxopropanamide.
What is the SMILES notation for N-(6-methylidenepiperidin-3-yl)-2-oxopropanamide?
The canonical SMILES for N-(6-methylidenepiperidin-3-yl)-2-oxopropanamide is C=C1CCC(NC(=O)C(C)=O)CN1.
What is the InChIKey of N-(6-methylidenepiperidin-3-yl)-2-oxopropanamide?
The InChIKey is BUQQVEMXXYHZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6-3-4-8(5-10-6)11-9(13)7(2)12/h8,10H,1,3-5H2,2H3,(H,11,13).
What are the key properties of N-(6-methylidenepiperidin-3-yl)-2-oxopropanamide?
N-(6-methylidenepiperidin-3-yl)-2-oxopropanamide has a molecular weight of 182.22 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylidenepiperidin-3-yl)-2-oxopropanamide is sourced from PubChem (CID 20632774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).