N-[(1-methylpiperidin-2-yl)methyl]-2-propoxyacetamide

C12H24N2O2 — CID 107941722

IUPACN-[(1-methylpiperidin-2-yl)methyl]-2-propoxyacetamide
SMILESCCCOCC(=O)NCC1CCCCN1C
InChIInChI=1S/C12H24N2O2/c1-3-8-16-10-12(15)13-9-11-6-4-5-7-14(11)2/h11H,3-10H2,1-2H3,(H,13,15)
InChIKeyRLTRWWFGYLMOLK-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.01
Rot. Bonds6

About N-[(1-methylpiperidin-2-yl)methyl]-2-propoxyacetamide

N-[(1-methylpiperidin-2-yl)methyl]-2-propoxyacetamide (PubChem CID 107941722) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-[(1-methylpiperidin-2-yl)methyl]-2-propoxyacetamide.

Molecular Properties

Compound NameN-[(1-methylpiperidin-2-yl)methyl]-2-propoxyacetamide
PubChem CID107941722
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-[(1-methylpiperidin-2-yl)methyl]-2-propoxyacetamide
SMILESCCCOCC(=O)NCC1CCCCN1C
InChIInChI=1S/C12H24N2O2/c1-3-8-16-10-12(15)13-9-11-6-4-5-7-14(11)2/h11H,3-10H2,1-2H3,(H,13,15)
InChIKeyRLTRWWFGYLMOLK-UHFFFAOYSA-N
XLogP1.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminoethoxy)-N-[(1-methylpiperidin-2-yl)methyl]acetamide
CID 79478680
methyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
CID 116655199
3-amino-3-hydroxyimino-N-[(1-methylpiperidin-2-yl)methyl]propanamide
CID 76930279
N-[(2-chlorocyclohexyl)methyl]-2-propoxyacetamide
CID 107941165
N-[[2-(aminomethyl)cyclohexyl]methyl]-2-propoxyacetamide
CID 107941610
tert-butyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
CID 62196160
2-(3-methylazetidin-3-yl)oxy-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide
CID 102611904
3-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide
CID 106019321
(2S)-2-amino-N-[(1-methylpiperidin-2-yl)methyl]butanamide
CID 79023299
N-[[2-(chloromethyl)cyclopentyl]methyl]-2-propoxyacetamide
CID 107941206
N-[(1-methylpiperidin-2-yl)methyl]-2-sulfanylpropanamide
CID 107027013
2-(ethylamino)-2-methyl-N-[(1-methylpiperidin-2-yl)methyl]propanamide
CID 62836518

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-2-yl)methyl]-2-propoxyacetamide?
The IUPAC name of N-[(1-methylpiperidin-2-yl)methyl]-2-propoxyacetamide (CID 107941722) is N-[(1-methylpiperidin-2-yl)methyl]-2-propoxyacetamide.
What is the SMILES notation for N-[(1-methylpiperidin-2-yl)methyl]-2-propoxyacetamide?
The canonical SMILES for N-[(1-methylpiperidin-2-yl)methyl]-2-propoxyacetamide is CCCOCC(=O)NCC1CCCCN1C.
What is the InChIKey of N-[(1-methylpiperidin-2-yl)methyl]-2-propoxyacetamide?
The InChIKey is RLTRWWFGYLMOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-8-16-10-12(15)13-9-11-6-4-5-7-14(11)2/h11H,3-10H2,1-2H3,(H,13,15).
What are the key properties of N-[(1-methylpiperidin-2-yl)methyl]-2-propoxyacetamide?
N-[(1-methylpiperidin-2-yl)methyl]-2-propoxyacetamide has a molecular weight of 228.34 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-2-yl)methyl]-2-propoxyacetamide is sourced from PubChem (CID 107941722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).