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

C15H31N3O2 — CID 114507484

IUPAC2-[3-ethyl-4-(ethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCCNC1CCN(CC(=O)NCCCOC)CC1CC
InChIInChI=1S/C15H31N3O2/c1-4-13-11-18(9-7-14(13)16-5-2)12-15(19)17-8-6-10-20-3/h13-14,16H,4-12H2,1-3H3,(H,17,19)
InChIKeyWFWGTNFMNIEKIR-UHFFFAOYSA-N
MW285.43 g/mol
LogP0.85
Rot. Bonds9

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

2-[3-ethyl-4-(ethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide (PubChem CID 114507484) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 2-[3-ethyl-4-(ethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[3-ethyl-4-(ethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide
PubChem CID114507484
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name2-[3-ethyl-4-(ethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCCNC1CCN(CC(=O)NCCCOC)CC1CC
InChIInChI=1S/C15H31N3O2/c1-4-13-11-18(9-7-14(13)16-5-2)12-15(19)17-8-6-10-20-3/h13-14,16H,4-12H2,1-3H3,(H,17,19)
InChIKeyWFWGTNFMNIEKIR-UHFFFAOYSA-N
XLogP0.85
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 50.85
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-(ethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 54956649
methyl 1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112730658
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 115301859
N-(3-methoxypropyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 78787278
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 115307268
2-(3-aminopiperidin-1-yl)-N-(3-methoxypropyl)acetamide
CID 61295530
methyl 4-[[2-(4-amino-3-ethylpiperidin-1-yl)acetyl]amino]butanoate
CID 81460156
2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 79410145
2-[3-ethyl-4-(ethylamino)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 114507471
ethyl 1-[2-(3-methoxypropylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 54837907
N-(3-methoxypropyl)-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95147881
2-[(3S)-3-(aminomethyl)piperidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 94209171

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethyl-4-(ethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[3-ethyl-4-(ethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide (CID 114507484) is 2-[3-ethyl-4-(ethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[3-ethyl-4-(ethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[3-ethyl-4-(ethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide is CCNC1CCN(CC(=O)NCCCOC)CC1CC.
What is the InChIKey of 2-[3-ethyl-4-(ethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide?
The InChIKey is WFWGTNFMNIEKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-4-13-11-18(9-7-14(13)16-5-2)12-15(19)17-8-6-10-20-3/h13-14,16H,4-12H2,1-3H3,(H,17,19).
What are the key properties of 2-[3-ethyl-4-(ethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide?
2-[3-ethyl-4-(ethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide has a molecular weight of 285.43 g/mol, XLogP of 0.85, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethyl-4-(ethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 114507484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).