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

C16H31N3O2 — CID 63855035

IUPAC2-[2-[1-(ethylamino)ethyl]piperidin-1-yl]-N-(oxan-4-yl)acetamide
SMILESCCNC(C)C1CCCCN1CC(=O)NC1CCOCC1
InChIInChI=1S/C16H31N3O2/c1-3-17-13(2)15-6-4-5-9-19(15)12-16(20)18-14-7-10-21-11-8-14/h13-15,17H,3-12H2,1-2H3,(H,18,20)
InChIKeyYOZLHHBMDJGUHJ-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.13
Rot. Bonds6

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

2-[2-[1-(ethylamino)ethyl]piperidin-1-yl]-N-(oxan-4-yl)acetamide (PubChem CID 63855035) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-[2-[1-(ethylamino)ethyl]piperidin-1-yl]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[2-[1-(ethylamino)ethyl]piperidin-1-yl]-N-(oxan-4-yl)acetamide
PubChem CID63855035
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name2-[2-[1-(ethylamino)ethyl]piperidin-1-yl]-N-(oxan-4-yl)acetamide
SMILESCCNC(C)C1CCCCN1CC(=O)NC1CCOCC1
InChIInChI=1S/C16H31N3O2/c1-3-17-13(2)15-6-4-5-9-19(15)12-16(20)18-14-7-10-21-11-8-14/h13-15,17H,3-12H2,1-2H3,(H,18,20)
InChIKeyYOZLHHBMDJGUHJ-UHFFFAOYSA-N
XLogP1.13
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-[(2S)-2-[(1R)-1-hydroxyethyl]piperidin-1-yl]acetamide
CID 95321220
2-[2-[1-(ethylamino)ethyl]piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 63853649
2-[2-(1-aminoethyl)piperidin-1-yl]-N-cycloheptylacetamide
CID 63255860
N-cyclohexyl-2-[2-(1-hydroxypropyl)piperidin-1-yl]acetamide
CID 111333494
2-[2-(1-aminoethyl)piperidin-1-yl]-N-cyclohexylacetamide;hydrochloride
CID 119911198
N-(2-methylpropyl)-2-[2-[1-(propylamino)ethyl]piperidin-1-yl]acetamide
CID 63854873
2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(oxan-4-yl)acetamide
CID 63849559
3-(ethylamino)-N-(oxan-4-yl)butanamide
CID 62838798
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide
CID 78942440
2-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 63854337
N-(oxan-4-yl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide
CID 55180342
2-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide
CID 129323249

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(ethylamino)ethyl]piperidin-1-yl]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[2-[1-(ethylamino)ethyl]piperidin-1-yl]-N-(oxan-4-yl)acetamide (CID 63855035) is 2-[2-[1-(ethylamino)ethyl]piperidin-1-yl]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[2-[1-(ethylamino)ethyl]piperidin-1-yl]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[2-[1-(ethylamino)ethyl]piperidin-1-yl]-N-(oxan-4-yl)acetamide is CCNC(C)C1CCCCN1CC(=O)NC1CCOCC1.
What is the InChIKey of 2-[2-[1-(ethylamino)ethyl]piperidin-1-yl]-N-(oxan-4-yl)acetamide?
The InChIKey is YOZLHHBMDJGUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-3-17-13(2)15-6-4-5-9-19(15)12-16(20)18-14-7-10-21-11-8-14/h13-15,17H,3-12H2,1-2H3,(H,18,20).
What are the key properties of 2-[2-[1-(ethylamino)ethyl]piperidin-1-yl]-N-(oxan-4-yl)acetamide?
2-[2-[1-(ethylamino)ethyl]piperidin-1-yl]-N-(oxan-4-yl)acetamide has a molecular weight of 297.44 g/mol, XLogP of 1.13, 6 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-(oxan-4-yl)acetamide is sourced from PubChem (CID 63855035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).