N-[(3-methylpiperidin-2-yl)methyl]-2-propoxyacetamide

C12H24N2O2 — CID 107938590

IUPACN-[(3-methylpiperidin-2-yl)methyl]-2-propoxyacetamide
SMILESCCCOCC(=O)NCC1NCCCC1C
InChIInChI=1S/C12H24N2O2/c1-3-7-16-9-12(15)14-8-11-10(2)5-4-6-13-11/h10-11,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyVNZSMHPODJALAM-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.92
Rot. Bonds6

About N-[(3-methylpiperidin-2-yl)methyl]-2-propoxyacetamide

N-[(3-methylpiperidin-2-yl)methyl]-2-propoxyacetamide (PubChem CID 107938590) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-[(3-methylpiperidin-2-yl)methyl]-2-propoxyacetamide.

Molecular Properties

Compound NameN-[(3-methylpiperidin-2-yl)methyl]-2-propoxyacetamide
PubChem CID107938590
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-[(3-methylpiperidin-2-yl)methyl]-2-propoxyacetamide
SMILESCCCOCC(=O)NCC1NCCCC1C
InChIInChI=1S/C12H24N2O2/c1-3-7-16-9-12(15)14-8-11-10(2)5-4-6-13-11/h10-11,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyVNZSMHPODJALAM-UHFFFAOYSA-N
XLogP0.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(3-methylpiperidin-2-yl)methyl]-2-propoxyacetamide 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-ethyl-3-[(3-methylpiperidin-2-yl)methyl]urea
CID 63304934
N-[(3-methylpiperidin-2-yl)methyl]acetamide
CID 63305307
1-[(3-methylpiperidin-2-yl)methyl]-3-propylurea
CID 63304890
3-cyclopentyl-N-[(3-methylpiperidin-2-yl)methyl]propanamide
CID 55204232
1,1-diethyl-3-[(3-methylpiperidin-2-yl)methyl]urea
CID 79161560
N-(3-butoxypropyl)-2-(3-methylpiperidin-2-yl)acetamide
CID 107148072
1,1-dimethyl-3-[(3-methylpiperidin-2-yl)methyl]urea
CID 79154184
N-[(3-ethylpiperidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103206941
N-[(3-methylpiperidin-2-yl)methyl]-2-methylsulfonylpropanamide
CID 113421960
2-ethyl-N-[(3-methylpiperidin-2-yl)methyl]hexanamide
CID 63304747
N-[[2-(chloromethyl)cyclopentyl]methyl]-2-propoxyacetamide
CID 107941206
N-[(2-chlorocyclohexyl)methyl]-2-propoxyacetamide
CID 107941165

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylpiperidin-2-yl)methyl]-2-propoxyacetamide?
The IUPAC name of N-[(3-methylpiperidin-2-yl)methyl]-2-propoxyacetamide (CID 107938590) is N-[(3-methylpiperidin-2-yl)methyl]-2-propoxyacetamide.
What is the SMILES notation for N-[(3-methylpiperidin-2-yl)methyl]-2-propoxyacetamide?
The canonical SMILES for N-[(3-methylpiperidin-2-yl)methyl]-2-propoxyacetamide is CCCOCC(=O)NCC1NCCCC1C.
What is the InChIKey of N-[(3-methylpiperidin-2-yl)methyl]-2-propoxyacetamide?
The InChIKey is VNZSMHPODJALAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-7-16-9-12(15)14-8-11-10(2)5-4-6-13-11/h10-11,13H,3-9H2,1-2H3,(H,14,15).
What are the key properties of N-[(3-methylpiperidin-2-yl)methyl]-2-propoxyacetamide?
N-[(3-methylpiperidin-2-yl)methyl]-2-propoxyacetamide has a molecular weight of 228.34 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylpiperidin-2-yl)methyl]-2-propoxyacetamide is sourced from PubChem (CID 107938590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).