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

C16H33N3O2 — CID 63852938

IUPAC2-[2-[1-(ethylamino)ethyl]piperidin-1-yl]-N-(3-methoxypropyl)propanamide
SMILESCCNC(C)C1CCCCN1C(C)C(=O)NCCCOC
InChIInChI=1S/C16H33N3O2/c1-5-17-13(2)15-9-6-7-11-19(15)14(3)16(20)18-10-8-12-21-4/h13-15,17H,5-12H2,1-4H3,(H,18,20)
InChIKeyNAPGKZOMMVLTDJ-UHFFFAOYSA-N
MW299.46 g/mol
LogP1.38
Rot. Bonds9

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

2-[2-[1-(ethylamino)ethyl]piperidin-1-yl]-N-(3-methoxypropyl)propanamide (PubChem CID 63852938) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is 2-[2-[1-(ethylamino)ethyl]piperidin-1-yl]-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-[2-[1-(ethylamino)ethyl]piperidin-1-yl]-N-(3-methoxypropyl)propanamide
PubChem CID63852938
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC Name2-[2-[1-(ethylamino)ethyl]piperidin-1-yl]-N-(3-methoxypropyl)propanamide
SMILESCCNC(C)C1CCCCN1C(C)C(=O)NCCCOC
InChIInChI=1S/C16H33N3O2/c1-5-17-13(2)15-9-6-7-11-19(15)14(3)16(20)18-10-8-12-21-4/h13-15,17H,5-12H2,1-4H3,(H,18,20)
InChIKeyNAPGKZOMMVLTDJ-UHFFFAOYSA-N
XLogP1.38
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 51.38
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(ethylamino)ethyl]piperidin-1-yl]-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-[2-[1-(ethylamino)ethyl]piperidin-1-yl]-N-(3-methoxypropyl)propanamide (CID 63852938) is 2-[2-[1-(ethylamino)ethyl]piperidin-1-yl]-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-[2-[1-(ethylamino)ethyl]piperidin-1-yl]-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-[2-[1-(ethylamino)ethyl]piperidin-1-yl]-N-(3-methoxypropyl)propanamide is CCNC(C)C1CCCCN1C(C)C(=O)NCCCOC.
What is the InChIKey of 2-[2-[1-(ethylamino)ethyl]piperidin-1-yl]-N-(3-methoxypropyl)propanamide?
The InChIKey is NAPGKZOMMVLTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-5-17-13(2)15-9-6-7-11-19(15)14(3)16(20)18-10-8-12-21-4/h13-15,17H,5-12H2,1-4H3,(H,18,20).
What are the key properties of 2-[2-[1-(ethylamino)ethyl]piperidin-1-yl]-N-(3-methoxypropyl)propanamide?
2-[2-[1-(ethylamino)ethyl]piperidin-1-yl]-N-(3-methoxypropyl)propanamide has a molecular weight of 299.46 g/mol, XLogP of 1.38, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(ethylamino)ethyl]piperidin-1-yl]-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 63852938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).