N-(3-methoxypropyl)-2-(3-methylpiperidin-1-yl)acetamide

C12H24N2O2 — CID 78787278

IUPACN-(3-methoxypropyl)-2-(3-methylpiperidin-1-yl)acetamide
SMILESCOCCCNC(=O)CN1CCCC(C)C1
InChIInChI=1S/C12H24N2O2/c1-11-5-3-7-14(9-11)10-12(15)13-6-4-8-16-2/h11H,3-10H2,1-2H3,(H,13,15)
InChIKeyQBKNGZBRPBWYJX-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.87
Rot. Bonds6

About N-(3-methoxypropyl)-2-(3-methylpiperidin-1-yl)acetamide

N-(3-methoxypropyl)-2-(3-methylpiperidin-1-yl)acetamide (PubChem CID 78787278) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(3-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(3-methylpiperidin-1-yl)acetamide
PubChem CID78787278
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-(3-methoxypropyl)-2-(3-methylpiperidin-1-yl)acetamide
SMILESCOCCCNC(=O)CN1CCCC(C)C1
InChIInChI=1S/C12H24N2O2/c1-11-5-3-7-14(9-11)10-12(15)13-6-4-8-16-2/h11H,3-10H2,1-2H3,(H,13,15)
InChIKeyQBKNGZBRPBWYJX-UHFFFAOYSA-N
XLogP0.87
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 ≤ 50.87
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-(3-aminopiperidin-1-yl)-N-(3-methoxypropyl)acetamide
CID 61295530
2-[(3S)-3-(aminomethyl)piperidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 94209171
2-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 63849542
N-(2-methoxyethylcarbamoyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 51170639
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 115301859
2-[3-[(tert-butylamino)methyl]piperidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 63848836
methyl 1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112730658
2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 79410145
N-(3-methoxypropyl)-2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide
CID 55432331
2-(2,6-dimethylmorpholin-4-yl)-N-(3-methoxypropyl)acetamide
CID 78787184
2-methoxy-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]acetamide
CID 94116180
2-[(3S)-3-(aminomethyl)piperidin-1-yl]-N-(2-methoxyethyl)acetamide
CID 129367244

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(3-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-(3-methylpiperidin-1-yl)acetamide (CID 78787278) is N-(3-methoxypropyl)-2-(3-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(3-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(3-methylpiperidin-1-yl)acetamide is COCCCNC(=O)CN1CCCC(C)C1.
What is the InChIKey of N-(3-methoxypropyl)-2-(3-methylpiperidin-1-yl)acetamide?
The InChIKey is QBKNGZBRPBWYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-11-5-3-7-14(9-11)10-12(15)13-6-4-8-16-2/h11H,3-10H2,1-2H3,(H,13,15).
What are the key properties of N-(3-methoxypropyl)-2-(3-methylpiperidin-1-yl)acetamide?
N-(3-methoxypropyl)-2-(3-methylpiperidin-1-yl)acetamide has a molecular weight of 228.34 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(3-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 78787278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).