3-(ethylamino)-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)propanamide

C13H27N3O2 — CID 55121337

IUPAC3-(ethylamino)-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)propanamide
SMILESCCNCCC(=O)N(CCO)C1CCN(C)CC1
InChIInChI=1S/C13H27N3O2/c1-3-14-7-4-13(18)16(10-11-17)12-5-8-15(2)9-6-12/h12,14,17H,3-11H2,1-2H3
InChIKeyONKDHKVKVJKQBE-UHFFFAOYSA-N
MW257.38 g/mol
LogP-0.10
Rot. Bonds7

About 3-(ethylamino)-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)propanamide

3-(ethylamino)-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)propanamide (PubChem CID 55121337) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-(ethylamino)-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)propanamide
PubChem CID55121337
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name3-(ethylamino)-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)propanamide
SMILESCCNCCC(=O)N(CCO)C1CCN(C)CC1
InChIInChI=1S/C13H27N3O2/c1-3-14-7-4-13(18)16(10-11-17)12-5-8-15(2)9-6-12/h12,14,17H,3-11H2,1-2H3
InChIKeyONKDHKVKVJKQBE-UHFFFAOYSA-N
XLogP-0.10
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 5-0.10
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 3-(ethylamino)-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)propanamide?
The IUPAC name of 3-(ethylamino)-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)propanamide (CID 55121337) is 3-(ethylamino)-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-(ethylamino)-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-(ethylamino)-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)propanamide is CCNCCC(=O)N(CCO)C1CCN(C)CC1.
What is the InChIKey of 3-(ethylamino)-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)propanamide?
The InChIKey is ONKDHKVKVJKQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-3-14-7-4-13(18)16(10-11-17)12-5-8-15(2)9-6-12/h12,14,17H,3-11H2,1-2H3.
What are the key properties of 3-(ethylamino)-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)propanamide?
3-(ethylamino)-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 257.38 g/mol, XLogP of -0.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 55121337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).