2-[4-(ethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide

C13H27N3O2 — CID 54956649

IUPAC2-[4-(ethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCCNC1CCN(CC(=O)NCCCOC)CC1
InChIInChI=1S/C13H27N3O2/c1-3-14-12-5-8-16(9-6-12)11-13(17)15-7-4-10-18-2/h12,14H,3-11H2,1-2H3,(H,15,17)
InChIKeyAMMQQCRPPBDZKB-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.21
Rot. Bonds8

About 2-[4-(ethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide

2-[4-(ethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide (PubChem CID 54956649) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-[4-(ethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[4-(ethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide
PubChem CID54956649
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name2-[4-(ethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCCNC1CCN(CC(=O)NCCCOC)CC1
InChIInChI=1S/C13H27N3O2/c1-3-14-12-5-8-16(9-6-12)11-13(17)15-7-4-10-18-2/h12,14H,3-11H2,1-2H3,(H,15,17)
InChIKeyAMMQQCRPPBDZKB-UHFFFAOYSA-N
XLogP0.21
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 115307268
2-[3-ethyl-4-(ethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 114507484
ethyl 1-[2-(3-methoxypropylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 54837907
2-(4-aminopiperidin-1-yl)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 79327489
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 115301859
methyl 1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112730658
2-(4-hydroxypiperidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 27070086
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
N-(3-methoxypropyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 78787278
N-ethyl-2-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]acetamide
CID 63847405
N-(3-methoxypropyl)-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]acetamide
CID 55432329

Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[4-(ethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide (CID 54956649) is 2-[4-(ethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[4-(ethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[4-(ethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide is CCNC1CCN(CC(=O)NCCCOC)CC1.
What is the InChIKey of 2-[4-(ethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide?
The InChIKey is AMMQQCRPPBDZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-3-14-12-5-8-16(9-6-12)11-13(17)15-7-4-10-18-2/h12,14H,3-11H2,1-2H3,(H,15,17).
What are the key properties of 2-[4-(ethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide?
2-[4-(ethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide has a molecular weight of 257.38 g/mol, XLogP of 0.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 54956649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).